490	762	899	0:SP3_SP-NON_SP2	C	C[6]	C	3:1:1:1:	2:2:4:	4:	C[6]-3:C-1:C-1:C-1:	C[6]-2:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(CC3)	C(CC[6]CC)	C(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(CC3){1|C<2>,1|C<3>,1|C<4>}	C(CC[6]CC)	110.4742	1.484	12	110.3563	4.330	21	110.3563	4.330	21	110.1233	3.802	27	110.3478	3.080	40	110.3478	3.080	40
490	762	899	0:SP3_SP-NON_SP2	C	C[6]	C	3:1:1:1:	2:2:4:	4:	C[6]-3:C-1:C-1:C-1:	C[6]-2:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(CC3)	C(CC[6]CC)	C(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(CC3){1|C<3>,1|N<3>}	C(CC[6]CC)	110.4800	2.769	6	110.3563	4.330	21	110.3563	4.330	21	110.1233	3.802	27	110.3478	3.080	40	110.3478	3.080	40
490	762	899	0:SP3_SP-NON_SP2	C	C[6]	C	3:1:1:1:	2:2:4:	4:	C[6]-3:C-1:C-1:C-1:	C[6]-2:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(CC3)	C(CC[6]CC)	C(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(CC3){1|N<3>,2|C<3>}	C(CC[6]CC)	109.6373	3.335	3	110.3563	4.330	21	110.3563	4.330	21	110.1233	3.802	27	110.3478	3.080	40	110.3478	3.080	40
490	762	899	0:SP3_SP-NON_SP2	C	C[6]	C	3:1:1:1:	2:2:4:	4:	C[6]-3:C-1:C-1:C-1:	C[6]-2:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(C)3	C[6](C[6]C[6])(O[6]C[6])(CC3)	C(CC[6]CC)	C(C[6]C[6]O[6])(C)3	C[6](C[6]C[6])(O[6]C[6])(CC3){1|C<4>,2|C<2>}	C(CC[6]CC)	109.3078	1.193	6	109.3078	1.424	6	109.3078	1.424	6	110.1233	3.802	27	110.3478	3.080	40	110.3478	3.080	40
490	762	899	0:SP3_SP-NON_SP2	C	C[6]	C	3:1:1:1:	3:2:4:	4:	C[6]-3:C-1:C-1:C-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(C)3	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C(CC[6]CC)	C(C[6]C[6]2)(C)3	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<4>,2|C<2>}	C(CC[6]CC)	110.8266	1.245	12	110.8266	1.551	12	110.8266	1.551	12	110.8266	1.551	12	110.3478	3.080	40	110.3478	3.080	40
490	762	899	0:SP3_SP-NON_SP2	C	C[6]	C	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:C-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(CC[6]CC)	C(C[6]C[6]2)(CH3)2(C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<5>,1|C<3>,1|C<4>}	C(CC[6]CC)	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	110.3478	3.080	40	110.3478	3.080	40
490	762	909	0:SP3_SP2_SP2	C	C[6]	S	3:2:1:1:	3:3:4:	3:4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6]C[6]H)2(CHHS)	S(C[6a]N[6a]2)(CC[6]HH)	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6]C[6]H)2(CHHS){1|N<3>,2|H<1>}	S(C[6a]N[6a]2)(CC[6]HH)	114.4317	0.916	3	114.4317	0.839	3	113.0310	8.407	4	113.8948	4.842	15	113.8006	4.108	18	113.8006	4.108	18
490	762	909	0:SP3_SP2_SP2	C	C[6]	S	3:2:1:1:	3:3:4:	3:4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CHHS)	S(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CHHS){1|C<4>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6]HH)	108.8290	0.000	1	108.8290	0.000	1	113.0310	8.407	4	113.8948	4.842	15	113.8006	4.108	18	113.8006	4.108	18
490	762	909	0:SP3_SP2_SP2	C	C[6]	S	3:2:1:1:	3:3:4:	3:4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[5]-3:C-4:	C(C[6]C[6]N[6])(SC[5])(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS)	S(C[5]C[5]S[5])(CC[6]HH)	C(C[6]C[6]N[6])(SC[5])(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS){1|C<3>,2|H<1>}	S(C[5]C[5]S[5])(CC[6]HH)	113.1220	3.398	2	113.1220	11.549	2	113.1220	11.549	2	113.8948	4.842	15	113.8006	4.108	18	113.8006	4.108	18
490	762	909	0:SP3_SP2_SP2	C	C[6]	S	3:2:1:1:	3:3:4:	3:4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[5a]-3:C-4:	C(C[6]C[6]N[6])(SC[5a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	S(C[5a]N[5a]S[5a])(CC[6]HH)	C(C[6]C[6]N[6])(SC[5a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	S(C[5a]N[5a]S[5a])(CC[6]HH)	112.5655	1.515	2	112.5655	2.296	2	112.5655	2.296	2	113.8948	4.842	15	113.8006	4.108	18	113.8006	4.108	18
490	762	909	0:SP3_SP2_SP2	C	C[6]	S	3:2:1:1:	3:3:4:	3:4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[5]-3:C-4:	C(C[6]C[6]N[6])(SC[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	S(C[5]N[5]2)(CC[6]HH)	C(C[6]C[6]N[6])(SC[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	S(C[5]N[5]2)(CC[6]HH)	113.9070	0.567	3	113.9070	0.322	3	113.9070	0.322	3	113.8948	4.842	15	113.8006	4.108	18	113.8006	4.108	18
490	762	909	0:SP3_SP2_SP2	C	C[6]	S	3:2:1:1:	3:3:4:	3:4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[5a]-3:C-4:	C(C[6]C[6]N[6])(SC[5a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	S(C[5a]N[5a]2)(CC[6]HH)	C(C[6]C[6]N[6])(SC[5a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	S(C[5a]N[5a]2)(CC[6]HH)	113.9410	0.000	1	113.9410	0.000	1	113.9410	0.000	1	113.8948	4.842	15	113.8006	4.108	18	113.8006	4.108	18
490	762	909	0:SP3_SP2_SP2	C	C[6]	S	3:2:1:1:	3:3:4:	3:4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:	C(C[6]C[6]N[6])(SC[6a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	S(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]N[6])(SC[6a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CC[6]HH)	116.0830	0.738	2	116.4203	0.614	3	116.4203	0.614	3	113.8948	4.842	15	113.8006	4.108	18	113.8006	4.108	18
490	762	909	0:SP3_SP2_SP2	C	C[6]	S	3:2:1:1:	3:3:4:	3:4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:	C(C[6]C[6]N[6])(SC[6a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	S(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]N[6])(SC[6a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6]HH)	117.0950	0.000	1	116.4203	0.614	3	116.4203	0.614	3	113.8948	4.842	15	113.8006	4.108	18	113.8006	4.108	18
490	762	909	0:SP3_SP2_SP2	C	C[6]	S	3:2:1:1:	3:3:4:	4:3:	C[6]-3:S-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-3:	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	S(CC[6]HH)(CNS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6]HH)(CNS)	113.7680	0.313	2	113.7680	0.098	2	113.7680	0.098	2	113.7680	0.098	2	113.8006	4.108	18	113.8006	4.108	18
490	762	909	0:SP3_SP2_SP2	C	C[6]	S	3:2:1:1:	3:4:4:	3:4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[5a]-3:C-4:	C(C[6]C[6]2)(SC[5a])(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS)	S(C[5a]N[5a]S[5a])(CC[6]HH)	C(C[6]C[6]2)(SC[5a])(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS){1|C<3>,1|C<4>}	S(C[5a]N[5a]S[5a])(CC[6]HH)	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	113.8006	4.108	18	113.8006	4.108	18
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	3:2:1:1:	2:2:4:	4:4:	C[6]-3:S-2:H-1:H-1:	N[6]-2:N[6]-2:C-4:	C-4:C-4:	C(C[6]N[6]2)(SC)(H)2	C[6](N[6]C[6,6a])(N[6]S[6])(CHHS)	S(CC[6a]HH)(CC[6]HH)	C(C[6]N[6]2)(SC)(H)2	C[6](N[6]C[6,6a])(N[6]S[6])(CHHS){2|C<3>,2|O<1>}	S(CC[6a]HH)(CC[6]HH)	114.9800	0.000	1	114.9800	0.000	1	114.9800	0.000	1	114.9800	0.000	1	112.5645	5.495	30	112.5645	5.495	30
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	3:2:1:1:	3:2:4:	4:4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:C-4:	C(C[6]N[6]2)(SC)(H)2	C[6](N[6]C[6,6a]H)(N[6]S[6])(CHHS)	S(CC[6a]HH)(CC[6]HH)	C(C[6]N[6]2)(SC)(H)2	C[6](N[6]C[6,6a]H)(N[6]S[6])(CHHS){2|C<3>,2|O<1>}	S(CC[6a]HH)(CC[6]HH)	111.7610	1.209	2	111.7610	1.462	2	111.7610	1.462	2	111.7610	1.462	2	112.5645	5.495	30	112.5645	5.495	30
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	3:2:1:1:	3:3:4:	4:4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]2)(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS)	S(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2)(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(CC[6]HH)	113.6987	0.991	3	113.6987	0.982	3	113.6987	0.982	3	112.8306	4.444	24	112.5645	5.495	30	112.5645	5.495	30
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	3:2:1:1:	3:3:4:	4:4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	S(CC[6]HH)(CCHH)	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6]HH)(CCHH)	111.7270	0.378	2	111.7270	0.143	2	113.2086	2.086	5	112.8306	4.444	24	112.5645	5.495	30	112.5645	5.495	30
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	3:2:1:1:	3:3:4:	4:4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	S(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(CC[6]HH)	114.1963	0.664	3	114.1963	0.441	3	113.2086	2.086	5	112.8306	4.444	24	112.5645	5.495	30	112.5645	5.495	30
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	3:2:1:1:	3:3:4:	4:4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHS)	S(CC[6]HH)(CCHH)	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	S(CC[6]HH)(CCHH)	111.0755	1.876	6	111.0755	3.518	6	112.5497	5.845	16	112.8306	4.444	24	112.5645	5.495	30	112.5645	5.495	30
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	3:2:1:1:	3:3:4:	4:4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	S(CC[6]HH)2	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6]HH)2	113.3170	0.477	4	113.3170	0.227	4	112.5497	5.845	16	112.8306	4.444	24	112.5645	5.495	30	112.5645	5.495	30
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	3:2:1:1:	3:3:4:	4:4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	S(CC[6]HH)(CCHH)	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	S(CC[6]HH)(CCHH)	108.1360	0.000	1	108.1360	0.000	1	112.5497	5.845	16	112.8306	4.444	24	112.5645	5.495	30	112.5645	5.495	30
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	3:2:1:1:	3:3:4:	4:4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS)	S(CC[6]HH)2	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	S(CC[6]HH)2	115.4023	0.405	4	115.4023	0.164	4	112.5497	5.845	16	112.8306	4.444	24	112.5645	5.495	30	112.5645	5.495	30
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	3:2:1:1:	3:3:4:	4:4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS)	S(CC[6]HH)2	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6]HH)2	111.3290	0.000	1	111.3290	0.000	1	112.5497	5.845	16	112.8306	4.444	24	112.5645	5.495	30	112.5645	5.495	30
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	3:4:2:1:	3:3:4:	4:4:	C[6]-3:N[5]-4:S-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Cd)(SC)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HS)	S(CC[6]N[5]H)(CCHH)	C(C[6]C[6]N[6])(N[5]C[5]2Cd)(SC)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HS){1|C<3>,2|H<1>}	S(CC[6]N[5]H)(CCHH)	107.9000	0.000	1	107.9000	0.000	1	107.9460	0.004	2	107.9460	0.004	2	112.5645	5.495	30	112.5645	5.495	30
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	3:4:2:1:	3:3:4:	4:4:	C[6]-3:N[5]-4:S-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Zn)(SC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HS)	S(CC[6]N[5]H)(CCHH)	C(C[6]C[6]N[6])(N[5]C[5]2Zn)(SC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HS){1|C<3>,2|H<1>}	S(CC[6]N[5]H)(CCHH)	107.9920	0.000	1	107.9920	0.000	1	107.9460	0.004	2	107.9460	0.004	2	112.5645	5.495	30	112.5645	5.495	30
490	762	909	0:SP3_SP2_SP3	C	C[6]	S	4:3:2:1:	2:2:4:	4:2:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-2:C[6]-2:C-4:	C-4:C-2:	C(C[6]C[6]2H)(C[6]C[6]2)(SC)(H)	C[6](C[6]C[6])2(CC[6]HS)	S(CC[6]2H)(CC[6])	C(C[6]C[6]2H)(C[6]C[6]2)(SC)(H)	C[6](C[6]C[6])2(CC[6]HS){1|C<2>}	S(CC[6]2H)(CC[6])	114.6070	0.000	1	114.6070	0.000	1	114.6070	0.000	1	114.6070	0.000	1	112.5645	5.495	30	112.5645	5.495	30
490	762	921	0:SP3_SP2_SP3	C	C[6,6]	Se	3:2:1:1:	4:3:4:	4:4:	C[6,6]-3:Se-2:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:C-4:	C(C[6,6]C[4,6,6]C[6,6])(SeC)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CSeHH)	Se(CC[6,6]HH)2	C(C[6,6]C[4,6,6]C[6,6])(SeC)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CSeHH){3|C<4>,4|H<1>}	Se(CC[6,6]HH)2	112.1860	0.000	1	112.1860	0.000	1	112.1860	0.000	1	112.1860	0.000	1	112.1860	0.000	1	110.7127	2.422	11
490	762	921	0:SP3_SP2_SP3	C	C[6]	Se	3:2:1:1:	3:3:4:	3:4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:	C(C[6]C[6]2)(SeC[6a])(H)2	C[6](C[6]C[6]H)2(CSeHH)	Se(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2)(SeC[6a])(H)2	C[6](C[6]C[6]H)2(CSeHH){1|N<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6]HH)	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	110.7487	0.408	3	110.5654	2.426	10	110.7127	2.422	11
490	762	921	0:SP3_SP2_SP3	C	C[6]	Se	3:2:1:1:	3:3:4:	3:4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C-4:	C(C[6]C[6]N[6])(SeC[6a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH)	Se(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]N[6])(SeC[6a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6]HH)	110.5310	0.000	1	110.5310	0.000	1	110.9995	0.439	2	110.7487	0.408	3	110.5654	2.426	10	110.7127	2.422	11
490	762	921	0:SP3_SP2_SP3	C	C[6]	Se	3:2:1:1:	3:3:4:	3:4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C-4:	C(C[6]C[6]N[6])(SeC[6a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH)	Se(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]N[6])(SeC[6a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6]HH)	111.4680	0.000	1	111.4680	0.000	1	110.9995	0.439	2	110.7487	0.408	3	110.5654	2.426	10	110.7127	2.422	11
490	762	921	0:SP3_SP2_SP3	C	C[6]	Se	3:2:1:1:	3:3:4:	4:4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]2)(SeC)(H)2	C[6](C[6]C[6]H)2(CSeHH)	Se(CC[6]HH)(CC3)	C(C[6]C[6]2)(SeC)(H)2	C[6](C[6]C[6]H)2(CSeHH){1|N<3>,2|H<1>}	Se(CC[6]HH)(CC3)	109.7080	0.000	1	109.7080	0.000	1	111.1980	4.440	2	110.4869	3.479	7	110.5654	2.426	10	110.7127	2.422	11
490	762	921	0:SP3_SP2_SP3	C	C[6]	Se	3:2:1:1:	3:3:4:	4:4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]2)(SeC)(H)2	C[6](C[6]C[6]H)2(CSeHH)	Se(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2)(SeC)(H)2	C[6](C[6]C[6]H)2(CSeHH){1|N<3>,2|H<1>}	Se(CC[6a]HH)(CC[6]HH)	112.6880	0.000	1	112.6880	0.000	1	111.1980	4.440	2	110.4869	3.479	7	110.5654	2.426	10	110.7127	2.422	11
490	762	921	0:SP3_SP2_SP3	C	C[6]	Se	3:2:1:1:	3:3:4:	4:4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH)	Se(CC[6]HH)(CC3)	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH){1|C<3>,2|H<1>}	Se(CC[6]HH)(CC3)	107.0970	0.000	1	107.0970	0.000	1	109.5655	12.187	2	110.4869	3.479	7	110.5654	2.426	10	110.7127	2.422	11
490	762	921	0:SP3_SP2_SP3	C	C[6]	Se	3:2:1:1:	3:3:4:	4:4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH)	Se(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	Se(CC[6a]HH)(CC[6]HH)	112.0340	0.000	1	112.0340	0.000	1	109.5655	12.187	2	110.4869	3.479	7	110.5654	2.426	10	110.7127	2.422	11
490	762	921	0:SP3_SP2_SP3	C	C[6]	Se	3:2:1:1:	3:3:4:	4:4:	C[6]-3:Se-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(SeC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CSeHH)	Se(CC[6]HH)2	C(C[6]C[6]N[6])(SeC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	Se(CC[6]HH)2	110.6270	0.859	3	110.6270	0.739	3	110.6270	0.739	3	110.4869	3.479	7	110.5654	2.426	10	110.7127	2.422	11
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:1:1:1:	2:3:4:	4:	C[6]-3:Br-1:F-1:F-1:	N[6]-2:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(Br)(F)2	C[6](N[6]C[6,6a])(N[6]C[6]C)(CBrFF)	Br(CC[6]FF)	C(C[6]N[6]2)(Br)(F)2	C[6](N[6]C[6,6a])(N[6]C[6]C)(CBrFF){3|C<3>}	Br(CC[6]FF)	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	110.1620	0.499	6	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:1:1:1:	2:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	Br(CC[6]HH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|H<1>,2|C<3>}	Br(CC[6]HH)	111.5110	0.000	1	110.2192	0.599	5	110.2192	0.599	5	110.1620	0.499	6	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:1:1:1:	2:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	Br(CC[6]HH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	Br(CC[6]HH)	109.8963	0.322	4	110.2192	0.599	5	110.2192	0.599	5	110.1620	0.499	6	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CBrHH)	Br(CC[6]HH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CBrHH){1|C<4>,1|O<2>,2|C<3>}	Br(CC[6]HH)	109.9040	0.000	1	109.9040	0.000	1	109.9130	0.000	2	109.3485	1.371	15	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]H)2(CBrHH)	Br(CC[6]HH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]H)2(CBrHH){1|N<3>,2|H<1>}	Br(CC[6]HH)	109.9220	0.000	1	109.9220	0.000	1	109.9130	0.000	2	109.3485	1.371	15	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH)	Br(CC[6]HH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>}	Br(CC[6]HH)	107.4380	0.045	2	107.4380	0.002	2	107.4380	0.002	2	109.3485	1.371	15	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH)	Br(CC[6]HH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH){2|C<3>}	Br(CC[6]HH)	109.4250	0.000	1	109.4250	0.000	1	109.5933	1.060	11	109.3485	1.371	15	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	Br(CC[6]HH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	Br(CC[6]HH)	109.8380	0.584	2	110.2750	0.487	6	109.5933	1.060	11	109.3485	1.371	15	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	Br(CC[6]HH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){2|C<3>}	Br(CC[6]HH)	110.4935	0.712	4	110.2750	0.487	6	109.5933	1.060	11	109.3485	1.371	15	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CBrHH)	Br(CC[6]HH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CBrHH){1|H<1>,2|C<3>}	Br(CC[6]HH)	108.6128	0.708	4	108.6128	0.501	4	109.5933	1.060	11	109.3485	1.371	15	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:1:1:1:	4:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH)	Br(CC[6]HH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	Br(CC[6]HH)	111.8225	0.506	2	111.8225	0.256	2	111.7485	0.239	4	111.7485	0.239	4	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:1:1:1:	4:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH)	Br(CC[6]HH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	Br(CC[6]HH)	111.6745	0.663	2	111.6745	0.439	2	111.7485	0.239	4	111.7485	0.239	4	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:Br-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]O)(Br)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH)	Br(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]O)(Br)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH){1|C<3>,2|H<1>}	Br(CC[6]CH)	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	109.6932	3.069	27	109.6932	3.069	27
490	762	924	0:SP3_SP-NON_SP2	C	C[6]	Br	3:4:4:1:	2:2:4:	4:	C[6]-3:C-4:C-4:Br-1:	N[6]-2:O[6]-2:C-4:	C-4:	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC)	Br(CC[6]CC)	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC){1|C<4>,3|C<3>}	Br(CC[6]CC)	103.5830	0.000	1	103.5830	0.000	1	103.5830	0.000	1	103.5830	0.000	1	109.6932	3.069	27	109.6932	3.069	27
490	762	930	0:SP3_SP2_SP2	C	C[6,6]	C	3:3:1:1:	4:3:4:	4:2:1:	C[6,6]-3:C-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:N-2:H-1:	C(C[6,6]C[3x6]C[6,6])(CHN)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCHH)	C(CC[6,6]HH)(NS)(H)	C(C[6,6]C[3x6]C[6,6])(CHN)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCHH){1|C<3>,2|C<4>,4|H<1>}	C(CC[6,6]HH)(NS)(H)	117.3710	0.000	1	117.3710	0.000	1	117.3710	0.000	1	117.3710	0.000	1	116.0250	3.623	2	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6,6]	C	3:3:2:1:	4:3:4:	4:2:1:	C[6,6]-3:C-3:O-2:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:O-2:O-1:	C(C[6,6]C[3x6]C[6,6])(COO)(OC)(H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO)	C(CC[6,6]HO)(OC)(O)	C(C[6,6]C[3x6]C[6,6])(COO)(OC)(H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO){1|O<1>,2|C<3>,3|C<4>}	C(CC[6,6]HO)(OC)(O)	114.6790	0.000	1	114.6790	0.000	1	114.6790	0.000	1	114.6790	0.000	1	116.0250	3.623	2	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	2:3:4:	3:4:1:	C[6]-3:C-3:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6]C[6]O[6])(CC[6a]O)(H)2	C[6](O[6]C[5,6])(C[6]C[6]H)(CCHH)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]O[6])(CC[6a]O)(H)2	C[6](O[6]C[5,6])(C[6]C[6]H)(CCHH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6]HH)(O)	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	2:3:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]O[6])(COO)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]H)(CCHH)	C(CC[6]HH)(OC)(O)	C(C[6]C[6]O[6])(COO)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]H)(CCHH){1|N<3>,3|C<3>}	C(CC[6]HH)(OC)(O)	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:2:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:O-2:O-1:	C(C[6]C[6]O[6])(COO)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(CC[6]HH)(OC)(O)	C(C[6]C[6]O[6])(COO)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(CC[6]HH)(OC)(O)	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:2:4:	4:2:2:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:O-2:O-2:	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C(CC[6]HH)(OMn)(ONi)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	C(CC[6]HH)(OMn)(ONi)	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:2:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:C-3:H-1:	C(C[6]C[6]O[6])(CCH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(CC[6]HH)(CCH)(H)	C(C[6]C[6]O[6])(CCH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(CC[6]HH)(CCH)(H)	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	3:4:1:	C[6]-3:C-3:Br-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6]C[6]N[6])(CC[6a]O)(Br)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH)	C(C[6a]C[6a]2)(CC[6]BrH)(O)	C(C[6]C[6]N[6])(CC[6a]O)(Br)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]BrH)(O)	114.0370	0.000	1	114.0370	0.000	1	114.0370	0.000	1	113.3785	0.867	2	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	3:4:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6]C[6]2)(CC[6a]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CCHH)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2)(CC[6a]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]HH)(O)	112.7200	0.000	1	112.7200	0.000	1	112.7200	0.000	1	113.3785	0.867	2	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:1:1:	C[6]-3:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:	C(C[6]C[6]N[6])(CHH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(CC[6]HH)(H)2	117.2900	0.000	1	117.2900	0.000	1	117.2900	0.000	1	117.2900	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6,6]C[6])(COO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH)	C(CC[6]HH)(OH)(O)	C(C[6]C[6,6]C[6])(COO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH){3|C<4>,5|H<1>}	C(CC[6]HH)(OH)(O)	115.0145	0.817	2	115.0145	0.667	2	115.0145	0.667	2	114.2804	3.718	14	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6,6a]C[6])(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH)	C(CC[6]HH)(OC)(O)	C(C[6]C[6,6a]C[6])(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(CC[6]HH)(OC)(O)	114.2350	0.000	1	114.2350	0.000	1	113.8950	0.231	2	114.2804	3.718	14	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6,6a]C[6])(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH)	C(CC[6]HH)(OH)(O)	C(C[6]C[6,6a]C[6])(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(CC[6]HH)(OH)(O)	113.5550	0.000	1	113.5550	0.000	1	113.8950	0.231	2	114.2804	3.718	14	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH)	C(CC[6]HH)(OC)(O)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH){1|O<1>,2|C<3>}	C(CC[6]HH)(OC)(O)	110.7740	0.000	1	110.7740	0.000	1	114.5693	11.077	3	114.2804	3.718	14	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(CC[6]HH)(OH)(O)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|H<1>}	C(CC[6]HH)(OH)(O)	116.9900	0.000	1	116.9900	0.000	1	114.5693	11.077	3	114.2804	3.718	14	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(CC[6]HH)(OH)(O)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(CC[6]HH)(OH)(O)	115.9440	0.000	1	115.9440	0.000	1	114.5693	11.077	3	114.2804	3.718	14	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]N[6])(COO)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C(CC[6]HH)(OC)(O)	C(C[6]C[6]N[6])(COO)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(CC[6]HH)(OC)(O)	115.1310	2.100	2	115.1310	4.410	2	115.1310	4.410	2	114.2804	3.718	14	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]N[5,6]C[6])(COO)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CCHH)	C(CC[6]HH)(OC)(O)	C(C[6]N[5,6]C[6])(COO)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CCHH){1|H<1>,2|O<1>,4|C<3>}	C(CC[6]HH)(OC)(O)	111.4990	0.000	1	111.4990	0.000	1	111.4990	0.000	1	114.2804	3.718	14	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]N[6])(COO)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(CC[6]HH)(ONi)(O)	C(C[6]C[6]N[6])(COO)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(CC[6]HH)(ONi)(O)	116.1700	0.000	1	116.1700	0.000	1	114.1595	3.336	4	114.2804	3.718	14	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]N[6])(COO)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH)	C(CC[6]HH)(ORh)(O)	C(C[6]C[6]N[6])(COO)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|O<2>}	C(CC[6]HH)(ORh)(O)	113.4893	1.520	3	113.4893	2.310	3	114.1595	3.336	4	114.2804	3.718	14	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[5,6]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH)	C(CC[6]HH)(CCC)(H)	C(C[6]C[5,6]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH){2|C<3>,4|C<4>}	C(CC[6]HH)(CCC)(H)	110.9600	0.286	2	110.9600	0.082	2	110.9600	0.082	2	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6,6]C[6])(CCH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)	C(CC[6]HH)(CCC)(H)	C(C[6]C[6,6]C[6])(CCH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH){2|C<3>,4|C<4>}	C(CC[6]HH)(CCC)(H)	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6,6a]C[6])(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CCHH)	C(CC[6]HH)(CHH)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CCHH){1|H<1>,5|C<3>}	C(CC[6]HH)(CHH)(H)	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH)	C(CC[6]HH)(CHH)(H)	C(C[6]C[6]2)(CCH)(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>}	C(CC[6]HH)(CHH)(H)	114.2050	0.000	1	114.2050	0.000	1	113.4283	1.434	13	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH)	C(CC[6]HH)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	C(CC[6]HH)(CHH)(H)	112.5670	0.000	1	112.5670	0.000	1	113.4283	1.434	13	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH)	C(CC[6]HH)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(CC[6]HH)(CHH)(H)	114.7730	0.000	1	114.7730	0.000	1	113.4283	1.434	13	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH)	C(CC[6]HH)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,2|C<3>,4|B<6>}	C(CC[6]HH)(CHH)(H)	114.5610	0.000	1	114.5610	0.000	1	113.4283	1.434	13	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH)	C(CC[6]HH)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH){2|C<3>,3|C<4>}	C(CC[6]HH)(CHH)(H)	112.2570	0.000	1	112.2570	0.000	1	113.4283	1.434	13	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	C(CC[6]HH)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(CC[6]HH)(CHH)(H)	114.2350	0.000	1	114.2350	0.000	1	113.4283	1.434	13	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]O)2(CCHH)	C(CC[6]HH)(CCC)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]O)2(CCHH){2|C<3>,3|C<4>}	C(CC[6]HH)(CCC)(H)	113.4120	0.000	2	113.4120	0.000	2	113.4283	1.434	13	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(CC[6]HH)(CCC)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>}	C(CC[6]HH)(CCC)(H)	115.3320	0.000	1	115.3320	0.000	1	113.4283	1.434	13	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(CC[6]HH)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C(CC[6]HH)(CHH)(H)	112.1970	0.000	1	112.1970	0.000	1	113.4283	1.434	13	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C(CC[6]HH)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	C(CC[6]HH)(CHH)(H)	113.8710	0.000	1	113.8710	0.000	1	113.4283	1.434	13	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(CC[6]HH)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|O<2>,2|C<3>}	C(CC[6]HH)(CHH)(H)	112.4090	0.000	1	112.4090	0.000	1	113.4283	1.434	13	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]O)2(CCHH)	C(CC[6]HH)(CCC)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]O)2(CCHH){2|C<3>,2|C<4>}	C(CC[6]HH)(CCC)(H)	111.3370	0.000	1	111.3370	0.000	1	113.4283	1.434	13	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]N[6])(CNO)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]N[6])(CNO)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]HH)(NCH)(O)	112.2075	0.407	2	112.2075	0.165	2	112.2075	0.165	2	112.9542	2.338	19	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:3:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:C-3:	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	C(CC[6]HH)(CC[6a]H)(COO)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C(CC[6]HH)(CC[6a]H)(COO)	113.4367	1.812	3	113.4367	3.283	3	115.5367	3.738	9	115.5367	3.738	9	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:3:3:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:C-3:	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]O)2(CCHH)	C(CC[6]HH)(CC[6a]H)(COO)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	C(CC[6]HH)(CC[6a]H)(COO)	116.5867	0.836	6	116.5867	0.699	6	115.5367	3.738	9	115.5367	3.738	9	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:4:1:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:C-4:O-1:	C(C[6]C[6,6a]C[6])(CCO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH)	C(CC[6]HH)(CH3)(O)	C(C[6]C[6,6a]C[6])(CCO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(CC[6]HH)(CH3)(O)	113.7965	0.135	4	113.7965	0.018	4	113.7965	0.018	4	114.2604	2.540	7	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:4:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:O-1:	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH)	C(CC[6]HH)(CCHH)(O)	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(CC[6]HH)(CCHH)(O)	117.2340	0.000	1	117.2340	0.000	1	114.8790	6.588	3	114.2604	2.540	7	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:4:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:O-1:	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH)	C(CC[6]HH)(CCCH)(O)	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(CC[6]HH)(CCCH)(O)	112.1430	0.000	1	112.1430	0.000	1	114.8790	6.588	3	114.2604	2.540	7	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:4:1:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:O-1:	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]O)2(CCHH)	C(CC[6]HH)(CH3)(O)	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	C(CC[6]HH)(CH3)(O)	115.2600	0.000	1	115.2600	0.000	1	114.8790	6.588	3	114.2604	2.540	7	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:4:3:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:C-4:C-3:	C(C[6]C[6,6a]C[6])(CCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH)	C(CC[6]HH)(CH3)(CCH)	C(C[6]C[6,6a]C[6])(CCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CC[6]HH)(CH3)(CCH)	115.9790	0.000	1	115.9790	0.000	1	115.9790	0.000	1	114.5854	1.903	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:4:3:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:C-3:	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C(CC[6]HH)(CH3)(CCH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(CC[6]HH)(CH3)(CCH)	113.9660	1.467	3	114.2370	1.728	4	114.2370	1.728	4	114.5854	1.903	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	3:3:4:	4:4:3:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:C-3:	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C(CC[6]HH)(CH3)(CCH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(CC[6]HH)(CH3)(CCH)	115.0500	0.000	1	114.2370	1.728	4	114.2370	1.728	4	114.5854	1.903	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	4:3:4:	4:2:1:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(CC[6]HH)(OH)(O)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	C(CC[6]HH)(OH)(O)	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	4:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[3,6]C[6])(CCH)(H)2	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH)	C(CC[6]HH)(CCC)(H)	C(C[6]C[3,6]C[6])(CCH)(H)2	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>}	C(CC[6]HH)(CCC)(H)	114.3220	0.000	1	114.3220	0.000	1	114.3220	0.000	1	113.0154	3.674	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	4:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH)	C(CC[6]HH)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	C(CC[6]HH)(CCH)(H)	113.1820	0.000	1	113.1820	0.000	1	113.6763	0.430	3	113.0154	3.674	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	4:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)	C(CC[6]HH)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C(CC[6]HH)(CHH)(H)	114.4200	0.000	1	114.4200	0.000	1	113.6763	0.430	3	113.0154	3.674	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	4:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)	C(CC[6]HH)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH){1|H<1>,1|S<4>,2|C<4>}	C(CC[6]HH)(CHH)(H)	113.4270	0.000	1	113.4270	0.000	1	113.6763	0.430	3	113.0154	3.674	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	4:3:4:	4:3:1:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]2)(CNO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]2)(CNO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	C(CC[6]HH)(NCH)(O)	109.7260	0.000	1	109.7260	0.000	1	109.7260	0.000	1	113.0154	3.674	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:1:1:	4:3:4:	4:4:1:	C[6]-3:C-3:F-1:F-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:O-1:	C(C[6]C[6]2)(CC[6]O)(F)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCFF)	C(C[6]C[6]2C)(CC[6]FF)(O)	C(C[6]C[6]2)(CC[6]O)(F)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCFF){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(CC[6]FF)(O)	115.4370	0.000	1	115.4370	0.000	1	115.4370	0.000	1	115.4370	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:2:1:	3:3:4:	4:1:1:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-1:O-1:	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]H)2(CCHO)	C(CC[6]HO)(O)2	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	C(CC[6]HO)(O)2	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:2:1:	3:3:4:	4:2:1:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]H)2(CCHO)	C(CC[6]HO)(OH)(O)	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<2>,2|H<1>}	C(CC[6]HO)(OH)(O)	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:2:1:	3:3:4:	4:3:1:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	C(CC[6]HO)(CCC)(H)	C(C[6]C[6]2)(CCH)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	C(CC[6]HO)(CCC)(H)	107.0230	0.349	2	107.0230	0.122	2	109.1713	13.907	3	109.9166	8.092	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:2:1:	3:3:4:	4:3:1:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(OSi)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	C(CC[6]HO)(CCC)(H)	C(C[6]C[6]2)(CCH)(OSi)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	C(CC[6]HO)(CCC)(H)	113.4680	0.000	1	113.4680	0.000	1	109.1713	13.907	3	109.9166	8.092	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:2:1:	3:3:4:	4:3:1:	C[6]-3:C-3:O-2:H-1:	C[6]-3:N[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]N[6])(CNO)(OH)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	C(CC[6]HO)(NC[6a]2)(O)	C(C[6]C[6]N[6])(CNO)(OH)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]HO)(NC[6a]2)(O)	111.0345	0.623	2	111.0345	0.388	2	111.0345	0.388	2	109.9166	8.092	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:2:1:	3:4:4:	3:4:1:	C[6]-3:C-3:C-2:H-1:	C[6]-3:C[6]-4:C-4:	N[5]-3:C-4:O-1:	C(C[6]C[6]2)(CN[5]O)(CN)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH)	C(N[5]C[5,6a]C[5])(CC[6]CH)(O)	C(C[6]C[6]2)(CN[5]O)(CN)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH){1|O<1>,2|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5])(CC[6]CH)(O)	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:2:1:	4:3:4:	4:3:1:	C[6]-3:C-3:C-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]2)(CNO)(CN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)	C(CC[6]CH)(NC[6a]H)(O)	C(C[6]C[6]2)(CNO)(CN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH){1|C<4>,4|H<1>}	C(CC[6]CH)(NC[6a]H)(O)	113.0950	0.000	1	113.0950	0.000	1	113.0950	0.000	1	113.0950	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:2:1:	4:3:4:	4:4:1:	C[6]-3:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:O-1:	C(C[6]C[6]2)(CC[6]O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2C)(CC[6]HO)(O)	C(C[6]C[6]2)(CC[6]O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2C)(CC[6]HO)(O)	113.8836	1.630	5	113.8836	2.657	5	114.1514	1.843	8	114.1514	1.843	8	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:2:1:	4:3:4:	4:4:1:	C[6]-3:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:O-1:	C(C[6]C[6]2)(CC[6]O)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(O)	C(C[6]C[6]2)(CC[6]O)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6]C[6]C)(CC[6]HO)(O)	115.5310	0.000	1	115.5310	0.000	1	114.1514	1.843	8	114.1514	1.843	8	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:2:1:	4:3:4:	4:4:1:	C[6]-3:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:O-1:	C(C[6]C[6]2)(CC[6]O)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2C)(CC[6]HO)(O)	C(C[6]C[6]2)(CC[6]O)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2C)(CC[6]HO)(O)	114.1310	0.098	2	114.1310	0.010	2	114.1514	1.843	8	114.1514	1.843	8	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:2:4:	4:1:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-2:C-4:	C-4:H-1:H-1:	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	C(CC[6]2H)(H)2	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]2H)(H)2	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	3:4:1:	C[6]-3:C-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH)	C(C[6a]C[6a]2)(CC[6]CH)(O)	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH){1|O<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6]CH)(O)	115.8220	2.627	4	115.8220	6.902	4	115.8220	6.902	4	115.1728	7.665	6	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	3:4:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6]C[6]2)2(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH)	C(C[6a]C[6a]2)(CC[6]2H)(O)	C(C[6]C[6]2)2(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH){1|O<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6]2H)(O)	113.8745	3.545	2	113.8745	12.565	2	113.8745	12.565	2	115.1728	7.665	6	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	3:4:3:	C[6]-3:N[5]-3:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:N-3:	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NRuH)	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6]N[5]H)(NRuH)	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:1:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(CC[6]2H)(H)2	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]2H)(H)2	113.3640	0.000	1	113.3640	0.000	1	113.3640	0.000	1	113.1660	0.078	2	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:1:1:	C[6]-3:N-3:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:	C(C[6]C[6]N[6])(NCuC)(CHH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN)	C(CC[6]HN)(H)2	C(C[6]C[6]N[6])(NCuC)(CHH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]HN)(H)2	112.9680	0.000	1	112.9680	0.000	1	112.9680	0.000	1	113.1660	0.078	2	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:2:1:	C[6]-3:C-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6,6a]C[6])(COO)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(CCCH)	C(CC[6]CH)(OC)(O)	C(C[6]C[6,6a]C[6])(COO)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(CC[6]CH)(OC)(O)	115.7325	2.215	2	115.7325	4.908	2	115.7325	4.908	2	111.2213	7.580	10	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:2:1:	C[6]-3:C-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(CNO)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH)	C(CC[6]CH)(OC)(O)	C(C[6]C[6]2)(CNO)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH){1|O<1>,4|C<3>}	C(CC[6]CH)(OC)(O)	113.0420	0.000	1	113.0420	0.000	1	113.0420	0.000	1	111.2213	7.580	10	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:2:1:	C[6]-3:C-3:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(COO)(NHS)(H)	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN)	C(CC[6]HN)(OC)(O)	C(C[6]C[6]2)(COO)(NHS)(H)	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN){1|C<4>}	C(CC[6]HN)(OC)(O)	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	111.2213	7.580	10	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:2:1:	C[6]-3:C[6]-3:C-3:O-1:	N[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]N[6])2(COO)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CO)	C(CC[6]2O)(ONi)(O)	C(C[6]C[6]N[6])2(COO)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CO){1|C<3>,2|H<1>}	C(CC[6]2O)(ONi)(O)	109.5480	0.609	6	109.5480	0.370	6	109.5480	0.370	6	111.2213	7.580	10	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH)	C(CC[6]CH)(NC[6a]H)(O)	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH){1|O<1>,4|C<3>}	C(CC[6]CH)(NC[6a]H)(O)	107.8392	0.675	4	107.8392	0.456	4	108.0128	0.493	5	111.8502	6.816	25	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]2)(CNO)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH)	C(CC[6]CH)(NC[6a]H)(O)	C(C[6]C[6]2)(CNO)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH){1|O<1>,4|C<3>}	C(CC[6]CH)(NC[6a]H)(O)	108.7070	0.000	1	108.7070	0.000	1	108.0128	0.493	5	111.8502	6.816	25	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C-3:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]N[6])(CNO)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	C(CC[6]CH)(NCH)(O)	C(C[6]C[6]N[6])(CNO)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|C<3>,2|C<4>}	C(CC[6]CH)(NCH)(O)	111.0932	2.213	4	111.0932	4.900	4	111.1238	2.969	6	111.8502	6.816	25	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C-3:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]N[6])(CNO)2(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH)	C(CC[6]CH)(NC[6a]2)(O)	C(C[6]C[6]N[6])(CNO)2(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]CH)(NC[6a]2)(O)	111.1850	0.365	2	111.1850	0.133	2	111.1238	2.969	6	111.8502	6.816	25	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]O)2(CC[6]CH)	C(CC[6]2H)(CC[6a]2)(H)	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	C(CC[6]2H)(CC[6a]2)(H)	113.4040	0.451	2	113.4040	0.204	2	113.5321	2.337	14	111.8502	6.816	25	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]O)2(CC[6]CH)	C(CC[6]2H)(CC[6a]H)(H)	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	C(CC[6]2H)(CC[6a]H)(H)	113.5534	1.655	12	113.5534	2.740	12	113.5321	2.337	14	111.8502	6.816	25	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:3:4:	4:3:4:	C[6]-3:N[5]-3:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:N-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH)	C(CC[6]N[5]H)(NRuH)(CH3)	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]N[5]H)(NRuH)(CH3)	110.4415	0.136	2	110.4415	0.019	2	110.4415	0.019	2	110.4415	0.019	2	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:4:2:	4:2:1:	C[6]-3:C[6a]-3:C-3:H-1:	C[6]-3:C-4:O[6]-2:	C-4:O-2:O-1:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(COO)(H)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	C(CC[6a]C[6]H)(OC)(O)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(COO)(H)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C(CC[6a]C[6]H)(OC)(O)	111.0270	0.000	1	111.0270	0.000	1	111.0270	0.000	1	111.0270	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:4:2:	4:3:3:	C[6]-3:C[6a]-3:C-3:H-1:	C[6]-3:C-4:O[6]-2:	C-4:C-3:C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCC)(H)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	C(CC[6a]C[6]H)(CHH)(COO)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCC)(H)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<4>,4|H<1>}	C(CC[6a]C[6]H)(CHH)(COO)	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:3:1:	3:4:4:	4:2:1:	C[6]-3:C-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(COO)2(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(CCCH)	C(CC[6]CH)(OC)(O)	C(C[6]C[6]2)(COO)2(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(CCCH){2|C<3>,2|H<1>}	C(CC[6]CH)(OC)(O)	111.8690	1.089	2	111.8690	1.186	2	111.8690	1.186	2	111.8690	1.186	2	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:4:1:	3:2:4:	3:4:1:	C[6]-3:C-3:C-4:H-1:	C[6]-3:O[6]-2:C-4:	C[6a]-3:C-4:O-1:	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH)	C(C[6a]C[6a]2)(CC[6]CH)(O)	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH){1|H<1>,1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(CC[6]CH)(O)	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:4:1:	3:3:4:	3:4:2:	C[6]-3:C-3:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:N-2:	C(C[6]C[6]N[6])(CC[6a]N)(PReCC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	C(C[6a]C[6a]2)(CC[6]HP)(NRe)	C(C[6]C[6]N[6])(CC[6a]N)(PReCC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6]HP)(NRe)	101.7610	0.000	1	101.7610	0.000	1	101.7610	0.000	1	101.7610	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:3:4:1:	3:3:4:	3:4:3:	C[6]-3:C-3:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:N-3:	C(C[6]C[6]N[6])(CC[6a]N)(PReCC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	C(C[6a]C[6a]2)(CC[6]HP)(NReC)	C(C[6]C[6]N[6])(CC[6a]N)(PReCC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6]HP)(NReC)	103.8070	0.000	1	103.8070	0.000	1	103.8070	0.000	1	103.8070	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:1:1:	C[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(CC[6]CH)(H)2	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<4>,4|H<1>}	C(CC[6]CH)(H)2	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(CF3)(COO)(H)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH)	C(CC[6]CH)(OC)(O)	C(C[6]C[6]2)(CF3)(COO)(H)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH){1|C<4>,3|C<3>}	C(CC[6]CH)(OC)(O)	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	113.4818	37.323	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6]-3:C-4:C-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH)	C(CC[6]CH)(OC)(O)	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	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>}	C(CC[6]CH)(OC)(O)	115.0100	0.000	1	115.0100	0.000	1	115.0100	0.000	1	113.4818	37.323	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6]-3:N-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C(CC[6]HN)(OH)(O)	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C(CC[6]HN)(OH)(O)	117.0920	0.000	1	118.4475	3.675	2	118.4475	3.675	2	113.4818	37.323	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6]-3:N-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C(CC[6]HN)(OH)(O)	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<4>,1|H<1>,3|C<3>}	C(CC[6]HN)(OH)(O)	119.8030	0.000	1	118.4475	3.675	2	118.4475	3.675	2	113.4818	37.323	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6]-3:P-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]N[6])(PReCC)(COO)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	C(CC[6]HP)(ORe)(O)	C(C[6]C[6]N[6])(PReCC)(COO)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]HP)(ORe)(O)	103.9900	0.000	1	103.9900	0.000	1	103.9900	0.000	1	113.4818	37.323	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6]-3:N-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])(NC[6a]PtH)(CCH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN)	C(CC[6]HN)(CCO)(H)	C(C[6]C[6]N[6])(NC[6a]PtH)(CCH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(CC[6]HN)(CCO)(H)	111.0240	0.000	1	111.0240	0.000	1	111.0240	0.000	1	108.8424	9.309	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6]-3:P-4:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP)	C(CC[6]HP)(NCC)(O)	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]HP)(NCC)(O)	111.0880	0.133	2	111.0880	0.018	2	111.0880	0.018	2	108.8424	9.309	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6]-3:P-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]N[6])(PRuCC)(CNO)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP)	C(CC[6]HP)(NRuC)(O)	C(C[6]C[6]N[6])(PRuCC)(CNO)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]HP)(NRuC)(O)	105.5060	0.330	2	105.5060	0.109	2	105.5060	0.109	2	108.8424	9.309	5	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:3:3:	C[6]-3:N-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:C-3:	C(C[6]C[6]N[6])(NC[6a]MoH)(CCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN)	C(CC[6]HN)(CCO)2	C(C[6]C[6]N[6])(NC[6a]MoH)(CCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(CC[6]HN)(CCO)2	113.8943	0.285	3	113.8943	0.081	3	113.4235	0.941	4	110.3342	23.643	6	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:3:3:	C[6]-3:N-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:C-3:	C(C[6]C[6]N[6])(NMoCH)(CCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN)	C(CC[6]HN)(CCO)2	C(C[6]C[6]N[6])(NMoCH)(CCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(CC[6]HN)(CCO)2	112.0110	0.000	1	112.0110	0.000	1	113.4235	0.941	4	110.3342	23.643	6	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:3:3:	C[6]-3:P-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:N-3:	C(C[6]C[6]N[6])(PMnCC)(CCN)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP)	C(CC[6]HP)(CC[6a]H)(NMnH)	C(C[6]C[6]N[6])(PMnCC)(CCN)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]HP)(CC[6a]H)(NMnH)	104.8120	0.000	1	104.8120	0.000	1	104.1555	0.862	2	110.3342	23.643	6	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:3:3:	C[6]-3:P-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:N-3:	C(C[6]C[6]N[6])(PReCC)(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	C(CC[6]HP)(CC[6a]H)(NReH)	C(C[6]C[6]N[6])(PReCC)(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]HP)(CC[6a]H)(NReH)	103.4990	0.000	1	103.4990	0.000	1	104.1555	0.862	2	110.3342	23.643	6	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:4:2:	C[6]-3:P-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:N-2:	C(C[6]C[6]N[6])(PReCC)(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	C(CC[6]HP)(CC3)(NRe)	C(C[6]C[6]N[6])(PReCC)(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]HP)(CC3)(NRe)	103.7330	0.000	1	103.7330	0.000	1	103.7330	0.000	1	103.7330	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	3:3:4:	4:4:3:	C[6]-3:P-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:N-3:	C(C[6]C[6]N[6])(PReCC)(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	C(CC[6a]CH)(CC[6]HP)(NReH)	C(C[6]C[6]N[6])(PReCC)(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]CH)(CC[6]HP)(NReH)	105.3680	0.000	1	105.3680	0.000	1	105.3680	0.000	1	105.3680	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	4:3:4:	4:1:1:	C[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:H-1:H-1:	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH)	C(CC[6]CH)(H)2	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]CH)(H)2	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	4:3:4:	4:3:1:	C[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]2)(CCHH)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(CC[6]CH)(NCC)(O)	C(C[6]C[6]2)(CCHH)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	C(CC[6]CH)(NCC)(O)	108.3280	0.000	1	108.3280	0.000	1	109.4633	2.907	3	110.5488	6.651	4	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	4:3:4:	4:3:1:	C[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]2)(CH3)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(CC[6]CH)(NCH)(O)	C(C[6]C[6]2)(CH3)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,4|H<1>}	C(CC[6]CH)(NCH)(O)	110.0310	1.970	2	110.0310	3.881	2	109.4633	2.907	3	110.5488	6.651	4	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:1:	4:3:4:	4:3:1:	C[6]-3:N-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]2)(NH3)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	C(CC[6]HN)(NC[4]H)(O)	C(C[6]C[6]2)(NH3)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<3>,3|H<1>}	C(CC[6]HN)(NC[4]H)(O)	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	110.5488	6.651	4	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:2:	3:3:4:	4:2:1:	C[6]-3:C-4:C-3:O-2:	N[6]-3:N[6]-3:C-4:	C-4:N-2:S-1:	C(C[6]N[6]2)(CH3)(CNS)(OH)	C[6](N[6]C[6]H)2(CCCO)	C(CC[6]CO)(NC[6a])(S)	C(C[6]N[6]2)(CH3)(CNS)(OH)	C[6](N[6]C[6]H)2(CCCO){1|C<4>,4|H<1>}	C(CC[6]CO)(NC[6a])(S)	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:3:	3:3:4:	4:2:2:	C[6]-3:C-4:C-3:C-3:	N[6]-3:C[6]-3:C-4:	C-4:O-2:O-2:	C(C[6]C[6]N[6])(CH3)(COO)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3)	C(CC[6]CC)(OCu)(OC)	C(C[6]C[6]N[6])(CH3)(COO)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]CC)(OCu)(OC)	107.0250	2.010	4	107.0250	4.039	4	107.0250	4.039	4	107.0250	4.039	4	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:3:3:	4:3:4:	4:2:1:	C[6]-3:C-4:C-3:C-3:	C[6]-4:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(CC[6a]HH)(COO)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)	C(CC[6]CC)(OC)(O)	C(C[6]C[6]2)(CC[6a]HH)(COO)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>,2|H<1>}	C(CC[6]CC)(OC)(O)	109.9625	1.133	4	109.9625	1.284	4	109.9625	1.284	4	109.9625	1.284	4	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6]-3:C-4:C-4:C-3:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[6]C[6]2)(CH3)2(COO)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3)	C(CC[6]CC)(OH)(O)	C(C[6]C[6]2)(CH3)2(COO)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	C(CC[6]CC)(OH)(O)	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:4:3:	3:4:4:	4:3:1:	C[6]-3:C-4:C-4:C-3:	C[6]-3:C[6]-4:C-4:	C-4:N-3:O-1:	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	C(CC[6]CC)(NC[6a]C)(O)	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){2|H<1>,4|C<3>}	C(CC[6]CC)(NC[6a]C)(O)	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:4:4:3:	4:3:4:	4:1:1:	C[6]-3:C-4:C-4:C-3:	C[6]-4:C[6]-3:C-4:	C-4:H-1:H-1:	C(C[6]C[6]2)(CH3)2(CHH)	C[6](C[6]C[6,6]OW)(C[6]C[6]H)(CC3)	C(CC[6]CC)(H)2	C(C[6]C[6]2)(CH3)2(CHH)	C[6](C[6]C[6,6]OW)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(CC[6]CC)(H)2	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	3:5:3:1:	4:3:4:	4:3:1:	C[6]-3:P-5:C-3:H-1:	N[6]-4:C[6]-3:C-4:	C-4:N-3:O-1:	C(C[6]C[6]N[6])(PC[6a]2DyO)(CNO)(H)	C[6](N[6]C[6]DyO)(C[6]C[6]H)(CCHP)	C(CC[6]HP)(NCC)(O)	C(C[6]C[6]N[6])(PC[6a]2DyO)(CNO)(H)	C[6](N[6]C[6]DyO)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]HP)(NCC)(O)	109.0980	0.147	2	109.0980	0.022	2	109.0980	0.022	2	109.0980	0.022	2	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	4:3:3:1:	3:2:4:	4:3:1:	C[5]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-2:C-4:	C-4:C-3:H-1:	C(C[5]C[5]2O)(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH)	C(CC[5]C[6]H)(CHH)(H)	C(C[5]C[5]2O)(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH){1|C<3>,2|H<1>}	C(CC[5]C[6]H)(CHH)(H)	110.8110	0.000	1	110.8110	0.000	1	110.8110	0.000	1	110.8110	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	4:3:3:1:	4:3:4:	4:2:1:	C[3]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:O-2:O-1:	C(C[3]C[3]2O)(C[6]C[6]2)(COO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH)	C(CC[3]C[6]H)(OC)(O)	C(C[3]C[3]2O)(C[6]C[6]2)(COO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH){1|C<3>,1|H<1>,1|O<2>}	C(CC[3]C[6]H)(OC)(O)	110.4940	0.000	1	110.4940	0.000	1	110.4940	0.000	1	110.4940	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	930	0:SP3_SP2_SP2	C	C[6]	C	4:3:4:3:	3:2:4:	4:2:1:	C-4:C[6]-3:C-4:C-3:	C[6]-3:C[6]-2:C-4:	C-4:O-2:O-1:	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	C[6](C[6]C[6]H)(C[6]C[6])(CC3)	C(CC[6]CC)(OC)(O)	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|C<3>,2|H<1>}	C(CC[6]CC)(OC)(O)	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	112.1076	10.792	181	112.1504	10.860	183
490	762	941	0:SP3_SP2_SP2	C	C[6,6]	N	3:4:2:1:	4:3:4:	4:3:	C[6,6]-3:C-4:N-2:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:C-3:	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)	N(CC[6,6]CH)(CC[6a]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>}	N(CC[6,6]CH)(CC[6a]H)	107.8240	0.000	1	107.8240	0.000	1	107.8240	0.000	1	107.8240	0.000	1	107.8240	0.000	1	111.8867	3.520	11
490	762	941	0:SP3_SP2_SP2	C	C[6]	N	3:2:1:1:	3:3:4:	3:4:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[5]-3:C-4:	C(C[6]C[6]N[6])(NC[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	N(C[5]N[5]2)(CC[6]HH)	C(C[6]C[6]N[6])(NC[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[5]N[5]2)(CC[6]HH)	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	112.2930	1.893	10	111.8867	3.520	11
490	762	941	0:SP3_SP2_SP2	C	C[6]	N	3:2:1:1:	3:3:4:	4:2:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:N-2:	C(C[6]C[6]N[6])(NN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(NN)	C(C[6]C[6]N[6])(NN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(NN)	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	112.2930	1.893	10	111.8867	3.520	11
490	762	941	0:SP3_SP2_SP2	C	C[6]	N	3:2:1:1:	3:3:4:	4:3:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]Ru)(CHHN)	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]Ru)(CHHN){2|C<3>}	N(CC[6]HH)(CC[6a]H)	111.7700	0.000	1	111.7700	0.000	1	113.6145	6.804	2	112.9197	4.851	3	112.2930	1.893	10	111.8867	3.520	11
490	762	941	0:SP3_SP2_SP2	C	C[6]	N	3:2:1:1:	3:3:4:	4:3:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[6]HH)(CNS)	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<4>,1|C<3>,1|H<1>}	N(CC[6]HH)(CNS)	115.4590	0.000	1	115.4590	0.000	1	113.6145	6.804	2	112.9197	4.851	3	112.2930	1.893	10	111.8867	3.520	11
490	762	941	0:SP3_SP2_SP2	C	C[6]	N	3:2:1:1:	3:3:4:	4:3:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:	C(C[6]C[6]N[6])(NC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CCO)	C(C[6]C[6]N[6])(NC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CCO)	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	112.9197	4.851	3	112.2930	1.893	10	111.8867	3.520	11
490	762	941	0:SP3_SP2_SP2	C	C[6]	N	3:2:1:1:	3:3:4:	4:4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(CC[6a]HP)(CC[6]HH)	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HP)(CC[6]HH)	113.1110	0.000	1	113.1110	0.000	1	113.1110	0.000	1	112.3440	0.971	4	112.2930	1.893	10	111.8867	3.520	11
490	762	941	0:SP3_SP2_SP2	C	C[6]	N	3:2:1:1:	3:3:4:	4:4:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:P-4:	C(C[6]C[6]N[6])(NP)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(PC[6a]3)	C(C[6]C[6]N[6])(NP)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]HH)(PC[6a]3)	112.6840	0.000	2	112.6840	0.000	2	112.0883	1.064	3	112.3440	0.971	4	112.2930	1.893	10	111.8867	3.520	11
490	762	941	0:SP3_SP2_SP2	C	C[6]	N	3:2:1:1:	3:3:4:	4:4:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:P-4:	C(C[6]C[6]N[6])(NP)(H)2	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(PC3)	C(C[6]C[6]N[6])(NP)(H)2	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN){1|C<3>,1|C<5>,1|H<1>}	N(CC[6]HH)(PC3)	110.8970	0.000	1	110.8970	0.000	1	112.0883	1.064	3	112.3440	0.971	4	112.2930	1.893	10	111.8867	3.520	11
490	762	941	0:SP3_SP2_SP2	C	C[6]	N	3:2:3:1:	3:3:4:	3:4:	C[6]-3:N-2:O-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6])(OCuH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO)	N(C[6]N[6]2)(CC[6]HO)	C(C[6]C[6]N[6])(NC[6])(OCuH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	N(C[6]N[6]2)(CC[6]HO)	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	112.2930	1.893	10	111.8867	3.520	11
490	762	945	0:SP3_SP2_SP3	C	C[6]	P	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:P-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6]HH)	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)2(CC[6]HH)	108.4200	0.000	1	108.4200	0.000	1	110.3703	2.893	3	110.3703	2.893	3	112.4633	7.845	12	112.4633	7.845	12
490	762	945	0:SP3_SP2_SP3	C	C[6]	P	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:P-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6]HH)	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	P(C[6a]C[6a]2)2(CC[6]HH)	111.3455	0.284	2	111.3455	0.080	2	110.3703	2.893	3	110.3703	2.893	3	112.4633	7.845	12	112.4633	7.845	12
490	762	945	0:SP3_SP2_SP3	C	C[6]	P	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:P-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(PCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	P(CC[6]HH)(CC3)2	C(C[6]C[6]N[6])(PCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6]HH)(CC3)2	116.6560	1.495	2	114.7265	8.971	4	114.7265	8.971	4	114.7265	8.971	4	112.4633	7.845	12	112.4633	7.845	12
490	762	945	0:SP3_SP2_SP3	C	C[6]	P	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:P-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(PCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	P(CC[6]HH)(CC3)2	C(C[6]C[6]N[6])(PCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	P(CC[6]HH)(CC3)2	112.7970	3.128	2	114.7265	8.971	4	114.7265	8.971	4	114.7265	8.971	4	112.4633	7.845	12	112.4633	7.845	12
490	762	945	0:SP3_SP2_SP3	C	C[6]	P	3:3:4:1:	3:2:4:	3:3:4:	C[6]-3:P-3:C-4:H-1:	N[6]-3:N[6]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C[6](N[6]C[6]C)(N[6]C[6])(CCHP)	P(C[6a]C[6a]2)2(CC[6]CH)	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C[6](N[6]C[6]C)(N[6]C[6])(CCHP){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(CC[6]CH)	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	112.4633	7.845	12	112.4633	7.845	12
490	762	945	0:SP3_SP2_SP3	C	C[6]	P	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:P-3:C-4:H-1:	N[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP)	P(C[6a]C[6a]2)2(CC[6]CH)	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(CC[6]CH)	109.5410	0.000	1	109.5410	0.000	1	109.5410	0.000	1	109.5410	0.000	1	112.4633	7.845	12	112.4633	7.845	12
490	762	945	0:SP3_SP2_SP3	C	C[6]	P	3:4:3:1:	3:3:4:	3:3:4:	C[6]-3:P-4:P-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6])(PC[6a]2Fe)(PC[6a]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP)	P(C[6a]C[6a]2)2(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Fe)(PC[6a]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6]HP)	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	112.4633	7.845	12	112.4633	7.845	12
490	762	945	0:SP3_SP2_SP3	C	C[6]	P	3:4:3:1:	3:3:4:	4:4:4:	C[6]-3:P-4:P-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(PCoCC)(PCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHPP)	P(CC[6]HP)(CCCH)2	C(C[6]C[6]N[6])(PCoCC)(PCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHPP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6]HP)(CCCH)2	113.6120	0.000	1	113.6120	0.000	1	113.5205	0.017	2	113.5205	0.017	2	112.4633	7.845	12	112.4633	7.845	12
490	762	945	0:SP3_SP2_SP3	C	C[6]	P	3:4:3:1:	3:3:4:	4:4:4:	C[6]-3:P-4:P-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(PFeCC)(PCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP)	P(CC[6]HP)(CCCH)2	C(C[6]C[6]N[6])(PFeCC)(PCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6]HP)(CCCH)2	113.4290	0.000	1	113.4290	0.000	1	113.5205	0.017	2	113.5205	0.017	2	112.4633	7.845	12	112.4633	7.845	12
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	3:4:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C-4:	C-4:	C(C[6,6]C[5,6,6]C[3x6])(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[3x6])(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(CH3){1|N<3>,3|C<4>,6|H<1>}	H(CC[6,6]HH)	109.4760	1.040	3	109.4760	1.081	3	109.4760	1.081	3	109.4773	0.121	19	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	3:4:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[6,6]-3:C[3x6]-4:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6,6]HH)	109.4640	0.023	2	109.4734	0.001	7	109.4745	0.001	11	109.4773	0.121	19	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	3:4:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[6,6]-3:C[3x6]-4:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3){3|C<4>,4|H<1>}	H(CC[6,6]HH)	109.4772	0.031	5	109.4734	0.001	7	109.4745	0.001	11	109.4773	0.121	19	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	3:4:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[6,6]-3:C[3x6]-4:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(CH3){3|C<4>,4|H<1>}	H(CC[6,6]HH)	109.4762	0.040	4	109.4762	0.002	4	109.4745	0.001	11	109.4773	0.121	19	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	3:4:4:	4:	C[6,6]-3:H-1:H-1:H-1:	N[6,6]-3:C[3x6]-4:C-4:	C-4:	C(C[6,6]C[3x6]N[6,6])(H)3	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]N[6,6])(H)3	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|H<1>,1|N<3>,4|C<3>}	H(CC[6,6]HH)	109.5050	0.064	3	109.4842	0.003	5	109.4842	0.003	5	109.4773	0.121	19	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	3:4:4:	4:	C[6,6]-3:H-1:H-1:H-1:	N[6,6]-3:C[3x6]-4:C-4:	C-4:	C(C[6,6]C[3x6]N[6,6])(H)3	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]N[6,6])(H)3	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<3>,5|C<3>}	H(CC[6,6]HH)	109.4530	0.028	2	109.4842	0.003	5	109.4842	0.003	5	109.4773	0.121	19	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3,6,6]C[6,6])(H)3	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3,6,6]C[6,6])(H)3	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3){1|H<1>,4|C<4>}	H(CC[6,6]HH)	109.4355	0.035	2	109.4355	0.001	2	109.4355	0.001	2	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6,6]HH)	109.4645	0.026	2	109.4645	0.001	2	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(CC[6,6]HH)	109.4385	0.013	2	109.4555	0.002	10	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6,6]HH)	109.4597	0.048	8	109.4555	0.002	10	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a])(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a])(CH3){2|C<4>,3|C<3>,4|H<1>}	H(CC[6,6]HH)	109.4687	0.012	3	109.4687	0.000	3	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(CC[6,6]HH)	109.4530	0.010	2	109.4530	0.000	2	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(CC[6,6]HH)	109.4850	0.047	2	109.4800	0.001	5	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[6,6]HH)	109.4767	0.008	3	109.4800	0.001	5	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3){1|H<1>,4|C<3>}	H(CC[6,6]HH)	109.4480	0.000	1	109.4480	0.000	1	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|C<4>,3|C<3>}	H(CC[6,6]HH)	109.4903	0.019	3	109.4631	0.004	27	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<2>,1|C<4>,3|C<3>}	H(CC[6,6]HH)	109.4758	0.068	9	109.4631	0.004	27	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<5>,1|C<4>,3|C<3>}	H(CC[6,6]HH)	109.4676	0.030	5	109.4631	0.004	27	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pt<2>,1|C<4>,3|C<3>}	H(CC[6,6]HH)	109.4414	0.082	10	109.4631	0.004	27	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(CH3){1|N<3>,3|C<4>,3|H<1>}	H(CC[6,6]HH)	109.4660	0.008	2	109.4660	0.000	2	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(CH3){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[6,6]HH)	109.4497	0.036	6	109.4497	0.001	6	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6,6]HH)	109.4773	2.917	6	109.6519	2.626	22	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(CC[6,6]HH)	109.9647	1.273	8	109.6519	2.626	22	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[6,6]HH)	109.4863	0.069	3	109.6519	2.626	22	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(CC[6,6]HH)	109.4600	0.031	5	109.6519	2.626	22	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CH3){2|C<2>,2|C<4>,3|H<1>}	H(CC[6,6]HH)	109.0040	4.213	3	109.0040	17.748	3	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(CC[6,6]HH)	109.4465	0.006	2	109.4465	0.000	2	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3){1|Pd<4>,4|C<3>}	H(CC[6,6]HH)	109.4723	0.031	3	109.4723	0.001	3	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]C)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]C)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[6,6]HH)	109.4623	0.028	3	109.4623	0.001	3	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[6,6]HH)	109.4653	0.038	3	109.4600	0.001	6	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[6,6]HH)	109.4547	0.032	3	109.4600	0.001	6	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6,6]HH)	109.4770	0.016	2	109.4770	0.000	2	109.4903	0.940	99	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){1|N<3>,3|C<4>,3|H<1>}	H(CC[6,6]HH)	109.4513	0.032	3	109.3140	8.367	22	109.3579	6.283	29	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CC[6,6]HH)	109.4586	0.040	7	109.3140	8.367	22	109.3579	6.283	29	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){3|C<4>,4|H<1>}	H(CC[6,6]HH)	109.4730	0.016	3	109.3140	8.367	22	109.3579	6.283	29	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){3|H<1>,4|C<4>}	H(CC[6,6]HH)	109.1028	4.677	9	109.3140	8.367	22	109.3579	6.283	29	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]H)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]H)(CH3){3|C<4>,4|H<1>}	H(CC[6,6]HH)	109.4960	0.057	7	109.4960	0.003	7	109.3579	6.283	29	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:1:1:1:	4:3:4:	4:	C[6,6]-3:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[5,3x6]C[6,6])(H)3	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]O)(C[6,6]C[5,3x6]O)(CH3)	H(CC[6,6]HH)	C(C[6,6]C[5,3x6]C[6,6])(H)3	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]O)(C[6,6]C[5,3x6]O)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(CC[6,6]HH)	109.4587	0.054	3	109.4587	0.003	3	109.4587	0.003	3	109.4599	2.034	133	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:2:1:1:	4:3:4:	4:	C[6,6]-3:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(OC)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6])(OC)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[6,6]HO)	109.3465	0.011	2	109.3465	0.000	2	109.3465	0.000	2	109.2572	0.011	4	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:2:1:1:	4:3:4:	4:	C[6,6]-3:Se-2:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(SeC)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CSeHH)	H(CC[6,6]SeH)	C(C[6,6]C[4,6,6]C[6,6])(SeC)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CSeHH){3|C<4>,4|H<1>}	H(CC[6,6]SeH)	109.1680	0.033	2	109.1680	0.001	2	109.1680	0.001	2	109.2572	0.011	4	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:C-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CHN)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCHH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CHN)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCHH){1|C<3>,2|C<4>,4|H<1>}	H(CC[6,6]CH)	107.9325	0.042	2	107.9325	0.002	2	107.9325	0.002	2	107.9325	0.002	2	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:3:2:1:	4:3:4:	4:	C[6,6]-3:C-3:O-2:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(COO)(OC)(H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO)	H(CC[6,6]CO)	C(C[6,6]C[3x6]C[6,6])(COO)(OC)(H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO){1|O<1>,2|C<3>,3|C<4>}	H(CC[6,6]CO)	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:3:4:1:	4:3:4:	4:	C[6,6]-3:C[5]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[5]CH)	H(CC[6,6]C[5]C)	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(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>}	H(CC[6,6]C[5]C)	104.4710	0.000	1	104.4710	0.000	1	104.4710	0.000	1	104.4710	0.000	1	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CC3)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CC3)(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>}	H(CC[6,6]CH)	107.9607	0.033	6	107.9607	0.001	6	108.7691	0.676	38	108.6628	0.790	42	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(CCHH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CCHH)(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>}	H(CC[6,6]CH)	109.6380	0.659	2	109.6380	0.434	2	108.7691	0.676	38	108.6628	0.790	42	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	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)	H(CC[6,6]CH)	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>}	H(CC[6,6]CH)	109.0800	0.000	1	109.0800	0.000	1	108.7691	0.676	38	108.6628	0.790	42	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	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>}	H(CC[6,6]CH)	108.9490	1.031	11	109.0213	0.954	19	108.7691	0.676	38	108.6628	0.790	42	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	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>}	H(CC[6,6]CH)	109.1206	0.956	8	109.0213	0.954	19	108.7691	0.676	38	108.6628	0.790	42	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	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>}	H(CC[6,6]CH)	108.5985	0.283	4	108.5985	0.080	4	108.7691	0.676	38	108.6628	0.790	42	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	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>}	H(CC[6,6]CH)	108.6580	0.006	2	108.5515	0.008	6	108.7691	0.676	38	108.6628	0.790	42	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	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>}	H(CC[6,6]CH)	108.4982	0.044	4	108.5515	0.008	6	108.7691	0.676	38	108.6628	0.790	42	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C-4:H-1:H-1:	C[4,4x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[4,4x6]C[6,6])(CC[6a]HH)(H)2	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]H)(CCHH)	H(CC[6,6]CH)	C(C[6,6]C[4,4x6]C[6,6])(CC[6a]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>}	H(CC[6,6]CH)	108.3320	0.013	2	108.3320	0.000	2	108.3320	0.000	2	108.6628	0.790	42	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C-4:H-1:H-1:	C[4x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[4x6]C[6,6])(CH3)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(CCHH)	H(CC[6,6]CH)	C(C[6,6]C[4x6]C[6,6])(CH3)(H)2	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>}	H(CC[6,6]CH)	106.9740	1.007	2	106.9740	1.014	2	106.9740	1.014	2	108.6628	0.790	42	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C-4:O-2:H-1:	C[6,6]-3:C[3x6]-4:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	C[6,6](C[6,6]N[5,3x6]H)(C[3x6]C[6,6]2H)(CCHO)	H(CC[6,6]CO)	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	C[6,6](C[6,6]N[5,3x6]H)(C[3x6]C[6,6]2H)(CCHO){3|C<4>,3|H<1>}	H(CC[6,6]CO)	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C-4:N-2:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:	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)	H(CC[6,6]CN)	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>}	H(CC[6,6]CN)	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6]-3:C-4:N-3:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:	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)	H(CC[6,6]CN)	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>}	H(CC[6,6]CN)	107.7880	2.932	2	107.7880	8.595	2	108.1790	3.090	4	107.7546	3.218	5	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6]-3:C-4:N-3:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	H(CC[6,6]CN)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(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>}	H(CC[6,6]CN)	108.5700	0.253	2	108.5700	0.064	2	108.1790	3.090	4	107.7546	3.218	5	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6]-3:C-4:O-3:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(OZn2)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHO)	H(CC[6,6]CO)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(OZn2)(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>}	H(CC[6,6]CO)	106.0570	0.000	1	106.0570	0.000	1	106.0570	0.000	1	107.7546	3.218	5	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C-4:C-4:H-1:	C[3x6]-3:C[3x6]-4:C-4:	C-4:	C(C[6,6]C[3x6]2)(CH3)2(H)	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH)	H(CC[6,6]CC)	C(C[6,6]C[3x6]2)(CH3)2(H)	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>}	H(CC[6,6]CC)	107.6000	0.158	2	107.6000	0.025	2	107.6000	0.025	2	107.6000	0.025	2	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:4:1:	4:3:4:	4:	C[6,6]-3:C-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH)	H(CC[6,6]CC)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	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>}	H(CC[6,6]CC)	107.3930	0.000	1	107.3930	0.000	1	106.4527	4.482	14	106.4527	4.482	14	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:4:1:	4:3:4:	4:	C[6,6]-3:C-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH)	H(CC[6,6]CC)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	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>}	H(CC[6,6]CC)	107.9590	1.150	4	107.9590	1.323	4	106.4527	4.482	14	106.4527	4.482	14	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:4:1:	4:3:4:	4:	C[6,6]-3:C-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	H(CC[6,6]CC)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	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>}	H(CC[6,6]CC)	107.0910	0.516	3	105.6788	4.869	9	106.4527	4.482	14	106.4527	4.482	14	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:4:1:	4:3:4:	4:	C[6,6]-3:C-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	H(CC[6,6]CC)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|C<4>,4|H<1>}	H(CC[6,6]CC)	104.5060	2.393	5	105.6788	4.869	9	106.4527	4.482	14	106.4527	4.482	14	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6,6]	H	3:4:4:1:	4:3:4:	4:	C[6,6]-3:C-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	H(CC[6,6]CC)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|H<1>,4|C<4>}	H(CC[6,6]CC)	107.3060	0.000	1	105.6788	4.869	9	106.4527	4.482	14	106.4527	4.482	14	109.0155	2.417	225	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-2:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6])2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6])2(CH3){1|C<2>}	H(CC[6]HH)	109.4493	0.033	8	109.4326	0.774	25	109.4326	0.774	25	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-2:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6])2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<1>}	H(CC[6]HH)	109.5290	0.044	3	109.4326	0.774	25	109.4326	0.774	25	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-2:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6])2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4025	1.193	14	109.4326	0.774	25	109.4326	0.774	25	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-2:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6])(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6])(O[6]C[6])(CH3){1|C<3>,2|O<2>}	H(CC[6]HH)	108.7847	0.563	3	108.7847	0.317	3	108.7847	0.317	3	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a])(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a])(C[6]C[6])(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	112.9578	3.291	6	112.9578	10.832	6	112.9578	10.832	6	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6])2(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6])2(CH3){1|N<2>,2|N<3>}	H(CC[6]HH)	109.4723	0.066	6	109.4695	0.004	11	109.4695	0.004	11	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6])2(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6])2(CH3){1|N<3>,2|N<2>}	H(CC[6]HH)	109.4662	0.059	5	109.4695	0.004	11	109.4695	0.004	11	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:O[6]-2:C-4:	C-4:	C(C[6]N[6]O[6])(H)3	C[6](N[6]C[6,6])(O[6]B[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]O[6])(H)3	C[6](N[6]C[6,6])(O[6]B[6])(CH3){1|C<3>,1|N<3>,2|F<1>}	H(CC[6]HH)	109.4614	0.049	14	109.4614	0.002	14	109.6814	0.752	26	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:O[6]-2:C-4:	C-4:	C(C[6]N[6]O[6])(H)3	C[6](N[6]C[6,6])(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]O[6])(H)3	C[6](N[6]C[6,6])(O[6]C[6])(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	111.1967	1.933	3	110.4278	2.883	6	109.6814	0.752	26	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:O[6]-2:C-4:	C-4:	C(C[6]N[6]O[6])(H)3	C[6](N[6]C[6,6])(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]O[6])(H)3	C[6](N[6]C[6,6])(O[6]C[6])(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.6590	1.303	3	110.4278	2.883	6	109.6814	0.752	26	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:O[6]-2:C-4:	C-4:	C(C[6]N[6]O[6])(H)3	C[6](N[6]C[6,6a])(O[6]C[6,6])(CH3)	H(CC[6]HH)	C(C[6]N[6]O[6])(H)3	C[6](N[6]C[6,6a])(O[6]C[6,6])(CH3){1|O<2>,3|C<3>}	H(CC[6]HH)	109.4163	0.027	3	109.4163	0.001	3	109.6814	0.752	26	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:O[6]-2:C-4:	C-4:	C(C[6]N[6]O[6])(H)3	C[6](N[6]C[6,6a])(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]O[6])(H)3	C[6](N[6]C[6,6a])(O[6]C[6])(CH3){1|C<4>,3|C<3>}	H(CC[6]HH)	109.4803	0.028	3	109.4803	0.001	3	109.6814	0.752	26	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:S[6]-2:C-4:	C-4:	C(C[6]N[6]S[6])(H)3	C[6](N[6]C[6,6a])(S[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]S[6])(H)3	C[6](N[6]C[6,6a])(S[6]C[6])(CH3){3|C<3>}	H(CC[6]HH)	109.4383	0.062	3	109.4383	0.004	3	109.4383	0.004	3	109.7853	2.198	74	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	H(CC[6]BrH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|H<1>,2|C<3>}	H(CC[6]BrH)	109.3305	0.023	2	109.6330	0.039	10	109.6330	0.039	10	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	H(CC[6]BrH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	H(CC[6]BrH)	109.7086	0.133	8	109.6330	0.039	10	109.6330	0.039	10	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	N[6]-2:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(Cl)(H)2	C[6](N[6]C[6,6a])(N[6]C[6]O)(CClHH)	H(CC[6]ClH)	C(C[6]N[6]2)(Cl)(H)2	C[6](N[6]C[6,6a])(N[6]C[6]O)(CClHH){3|C<3>}	H(CC[6]ClH)	109.9900	0.010	2	109.9900	0.000	2	109.9900	0.000	2	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[6]HH)	109.4625	0.013	2	109.4625	0.000	2	109.5012	0.620	5	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6])(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6])(C[6]C[6]N)(CH3){2|C<3>}	H(CC[6]HH)	109.5270	1.112	3	109.5270	1.237	3	109.5012	0.620	5	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(CC[6]HH)	109.4621	0.042	15	109.4629	0.002	16	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<4>,2|N<3>}	H(CC[6]HH)	109.4750	0.000	1	109.4629	0.002	16	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>}	H(CC[6]HH)	109.4648	2.293	46	109.4648	5.258	46	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(CC[6]HH)	109.4694	0.030	53	109.4704	0.001	56	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<4>,2|N<3>}	H(CC[6]HH)	109.4877	0.019	3	109.4704	0.001	56	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4738	0.062	5	109.4537	0.009	11	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>}	H(CC[6]HH)	109.4837	0.036	3	109.4537	0.009	11	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>}	H(CC[6]HH)	109.3903	0.159	3	109.4537	0.009	11	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6])(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6])(C[6]N[6]C)(CH3){1|Co<6>,1|C<3>,1|N<3>}	H(CC[6]HH)	109.5087	0.320	3	109.5087	0.103	3	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a])(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	109.4615	0.012	2	109.4615	0.000	2	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4763	0.023	6	109.4699	0.000	9	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3){1|Re<6>,1|C<3>,1|N<3>}	H(CC[6]HH)	109.4570	0.012	3	109.4699	0.000	9	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]N[5a,6])(C[6]S[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]N[5a,6])(C[6]S[6]N)(CH3){2|C<3>}	H(CC[6]HH)	109.4403	0.024	4	109.4403	0.001	4	109.4664	1.623	147	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6,6a])(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	H(CC[6]HH)	109.4700	0.025	2	109.4700	0.001	2	109.4700	0.001	2	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]B[6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]B[6,6])(C[6]C[6]H)(CH3){1|O<2>,3|C<4>}	H(CC[6]HH)	109.4796	0.030	9	109.4796	0.001	9	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4650	0.053	8	109.4650	0.003	8	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|O<2>}	H(CC[6]HH)	110.9507	2.122	3	110.6537	2.035	6	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	H(CC[6]HH)	110.3567	0.565	3	110.6537	2.035	6	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]HH)	109.4826	0.026	10	109.4819	0.001	28	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CC[6]HH)	109.4983	0.026	3	109.4819	0.001	28	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4877	0.025	3	109.4819	0.001	28	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	H(CC[6]HH)	109.4757	0.042	12	109.4819	0.001	28	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,1|O<3>}	H(CC[6]HH)	111.2648	3.316	12	111.4007	8.484	20	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){1|C<3>,2|O<2>}	H(CC[6]HH)	112.3155	2.349	6	111.4007	8.484	20	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){3|C<3>}	H(CC[6]HH)	109.4720	0.018	2	111.4007	8.484	20	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[3x5,6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[3x5,6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<3>,2|N<4>}	H(CC[6]HH)	109.4933	0.035	3	109.4933	0.001	3	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|C<4>,2|O<2>,3|N<3>}	H(CC[6]HH)	109.4660	0.036	7	109.4846	0.004	38	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|C<4>,5|O<2>}	H(CC[6]HH)	109.4932	0.076	27	109.4846	0.004	38	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	H(CC[6]HH)	109.4587	0.018	4	109.4846	0.004	38	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	H(CC[6]HH)	109.4799	0.021	7	109.4799	0.000	7	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]In[3x6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]In[3x6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	H(CC[6]HH)	109.4670	0.037	8	109.4670	0.001	8	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,1|O<3>,2|N<3>}	H(CC[6]HH)	109.4702	0.021	6	109.4700	0.001	14	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	H(CC[6]HH)	109.4745	0.019	4	109.4700	0.001	14	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,2|N<3>,2|O<2>}	H(CC[6]HH)	109.4652	0.041	4	109.4700	0.001	14	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Nb[6x3,6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Nb[6x3,6,6])(C[6]C[6]H)(CH3){1|Nb<9>,1|C<4>,3|O<2>,4|S<3>}	H(CC[6]HH)	108.7664	7.497	12	108.7664	56.211	12	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|O<2>}	H(CC[6]HH)	109.4756	0.029	11	109.4683	0.001	17	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	H(CC[6]HH)	109.4383	0.011	3	109.4683	0.001	17	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|N<3>,1|S<2>,2|C<3>,2|O<2>}	H(CC[6]HH)	109.4713	0.025	3	109.4683	0.001	17	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Si[5,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Si[5,6])(C[6]C[6]H)(CH3){1|N<3>,1|O<2>,3|C<4>}	H(CC[6]HH)	109.4683	0.038	3	109.4683	0.001	3	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	H(CC[6]HH)	109.4645	0.023	11	109.4645	0.001	11	109.6777	4.759	184	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	S[6]-2:N[6]-3:C-4:	C-4:	C(C[6]N[6]S[6])(H)3	C[6](S[6]C[6,6a])(N[6]Si[6]V)(CH3)	H(CC[6]HH)	C(C[6]N[6]S[6])(H)3	C[6](S[6]C[6,6a])(N[6]Si[6]V)(CH3){4|C<3>}	H(CC[6]HH)	109.4700	0.045	3	109.4700	0.002	3	109.4700	0.002	3	109.5848	3.167	353	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	2:4:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-4:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[3x6])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[3x6])(C[6]C[6]HH)(CH3){1|C<4>,5|O<2>}	H(CC[6]HH)	109.4370	0.040	6	109.4370	0.002	6	109.4370	0.002	6	109.4370	0.002	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(Cl)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CClHH)	H(CC[6]ClH)	C(C[6]C[6]O[6])(Cl)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CClHH){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]ClH)	109.6885	0.040	2	109.6885	0.002	2	109.6885	0.002	2	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[5,6]O[6])(H)3	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]O[6])(H)3	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(CC[6]HH)	109.4408	0.040	5	109.4408	0.002	5	109.4647	0.001	19	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[5,6]O[6])(H)3	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]O[6])(H)3	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3){1|Ga<5>,1|C<3>,1|H<1>,1|S<2>}	H(CC[6]HH)	109.4725	0.033	6	109.4732	0.001	14	109.4647	0.001	19	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[5,6]O[6])(H)3	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]O[6])(H)3	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3){1|Ga<6>,1|C<3>,1|H<1>,1|S<2>}	H(CC[6]HH)	109.4737	0.032	8	109.4732	0.001	14	109.4647	0.001	19	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:S[6]-2:C-4:	C-4:	C(C[6]C[5,6]S[6])(H)3	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]S[6])(H)3	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(CH3){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4857	0.039	6	109.4857	0.002	6	109.4857	0.002	6	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[5a,6]N[6])(H)3	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]N[6])(H)3	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4890	0.012	3	109.4890	0.000	3	109.4890	0.000	3	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6,6]N[6])(H)3	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(CH3)	H(CC[6]HH)	C(C[6]C[6,6]N[6])(H)3	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(CH3){1|B<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4792	0.030	5	109.4792	0.001	5	110.0431	1.392	8	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6,6]N[6])(H)3	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6]N[6])(H)3	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CH3){1|B<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	110.9830	1.658	3	110.9830	2.750	3	110.0431	1.392	8	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6,6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	H(CC[6]HH)	109.4613	0.023	3	109.4667	0.001	6	110.1014	3.088	15	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6,6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3){1|H<1>,1|P<4>,2|C<4>,3|C<3>}	H(CC[6]HH)	109.4720	0.033	3	109.4667	0.001	6	110.1014	3.088	15	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6,6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]HH)	111.1637	2.327	3	110.5246	4.900	9	110.1014	3.088	15	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6,6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(CC[6]HH)	109.4640	0.053	3	110.5246	4.900	9	110.1014	3.088	15	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6,6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){2|H<1>,6|C<4>}	H(CC[6]HH)	110.9460	3.408	3	110.5246	4.900	9	110.1014	3.088	15	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(CH3){1|H<1>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.8110	2.335	3	109.8110	5.450	3	109.8110	5.450	3	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>,2|C<4>}	H(CC[6]HH)	110.3912	2.998	6	110.3912	8.987	6	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	116.1180	1.953	3	116.1180	3.815	3	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	H(CC[6]HH)	113.7153	4.334	3	113.7153	18.782	3	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.0607	2.769	3	109.4036	1.453	36	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.5252	0.113	5	109.4036	1.453	36	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6]HH)	109.6230	3.890	3	109.4036	1.453	36	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.4670	0.028	3	109.4036	1.453	36	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4774	0.688	8	109.4036	1.453	36	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.1653	0.426	6	109.4036	1.453	36	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>}	H(CC[6]HH)	109.4803	0.028	3	109.4036	1.453	36	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<4>,2|H<1>}	H(CC[6]HH)	109.3930	0.031	2	109.4036	1.453	36	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|Li<6>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4710	0.026	3	109.4036	1.453	36	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|H<1>}	H(CC[6]HH)	102.9909	9.131	3	106.2245	45.898	6	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(CH3){1|C<3>,1|N<4>}	H(CC[6]HH)	109.4580	0.034	3	106.2245	45.898	6	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3){1|C<2>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4778	0.056	9	109.4778	0.003	9	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4880	0.043	3	109.4880	0.002	3	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4470	0.021	2	109.4470	0.000	2	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]H)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	115.6040	3.310	3	115.6040	10.959	3	109.9605	10.619	71	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(N[6]C[6])(CH3){1|C<3>,1|N<2>,1|O<1>}	H(CC[6]HH)	109.4647	0.038	3	109.4647	0.001	3	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(CC[6]HH)	109.4427	0.008	3	109.4572	0.001	10	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(CC[6]HH)	109.4634	0.037	7	109.4572	0.001	10	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]N[6])(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.5447	2.188	3	109.5447	4.788	3	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]S[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]S[6])(CH3){1|H<1>,1|N<3>,2|O<1>}	H(CC[6]HH)	109.4543	0.021	3	109.4543	0.000	3	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]Cl)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]Cl)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	H(CC[6]HH)	109.4690	0.025	5	109.4690	0.001	5	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4744	0.030	5	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4707	0.030	11	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.4820	0.047	3	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|N<2>,1|N<3>}	H(CC[6]HH)	111.5553	1.088	3	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6]HH)	108.4577	3.286	6	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4715	0.023	2	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4688	0.030	38	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<1>}	H(CC[6]HH)	111.4013	2.763	6	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	H(CC[6]HH)	109.4677	0.042	26	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<3>}	H(CC[6]HH)	109.4787	0.031	9	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	H(CC[6]HH)	109.5856	0.465	91	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Cu<6>,1|C<4>,2|N<3>}	H(CC[6]HH)	109.5070	0.050	3	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Eu<12>,1|C<4>,1|N<3>,1|S<2>}	H(CC[6]HH)	109.4513	0.013	3	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Gd<15>,1|C<4>,1|N<3>,1|N<4>}	H(CC[6]HH)	109.4740	0.067	6	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|H<1>,2|N<3>}	H(CC[6]HH)	109.4676	0.012	12	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Mo<7>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6]HH)	109.6717	0.749	3	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|C<4>}	H(CC[6]HH)	109.4685	0.044	12	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|H<1>}	H(CC[6]HH)	109.4812	0.027	6	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Pr<12>,1|C<4>,1|N<3>,1|S<2>}	H(CC[6]HH)	109.4577	0.025	3	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Rh<5>,1|C<4>,1|N<3>,1|S<2>}	H(CC[6]HH)	109.4163	0.021	3	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Se<1>,1|C<3>,1|N<3>}	H(CC[6]HH)	109.4904	0.024	5	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Sm<12>,1|C<4>,1|N<3>,1|S<2>}	H(CC[6]HH)	109.5173	0.037	3	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CH3){2|C<2>}	H(CC[6]HH)	109.4787	0.032	3	109.5582	0.599	262	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CH3){1|B<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4758	0.034	6	109.4699	0.001	9	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CH3){1|S<4>,2|C<4>}	H(CC[6]HH)	109.4580	0.015	3	109.4699	0.001	9	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]I)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]I)(N[6]C[6])(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4713	0.025	3	109.4713	0.001	3	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(N[6]S[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(N[6]S[6])(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	H(CC[6]HH)	109.4665	0.023	8	109.4665	0.001	8	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CH3){1|Ir<6>,4|C<3>}	H(CC[6]HH)	109.4758	0.043	24	109.4758	0.002	24	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]H)(N[6]C[6])(CH3){1|B<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	110.0646	1.177	11	110.0646	1.385	11	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Al<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4694	0.014	15	109.7060	1.420	89	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Al<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4740	0.010	4	109.7060	1.420	89	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.5403	0.952	27	109.7060	1.420	89	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	109.4751	0.044	8	109.7060	1.420	89	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|N<3>}	H(CC[6]HH)	109.4494	0.038	8	109.7060	1.420	89	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4708	0.068	6	109.7060	1.420	89	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	110.6300	1.433	6	109.7060	1.420	89	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Zn<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4560	0.037	5	109.7060	1.420	89	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){2|C<3>}	H(CC[6]HH)	113.2007	3.860	3	109.7060	1.420	89	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){2|N<3>}	H(CC[6]HH)	109.6319	1.637	7	109.7060	1.420	89	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	108.9330	0.740	4	109.3239	0.178	15	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3){1|Cu<4>,1|C<3>}	H(CC[6]HH)	109.4650	0.041	3	109.3239	0.178	15	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3){1|Eu<13>,1|C<3>}	H(CC[6]HH)	109.4777	0.053	6	109.3239	0.178	15	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3){1|Pt<4>,1|C<3>}	H(CC[6]HH)	109.4325	0.005	2	109.3239	0.178	15	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4660	0.029	23	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|W<6>}	H(CC[6]HH)	109.4760	0.089	8	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Cd<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4616	0.030	5	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Co<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4747	0.028	9	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Co<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	110.3112	1.600	12	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Cu<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4364	0.039	5	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Cu<5>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4357	0.012	4	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Fe<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4585	0.023	4	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4980	0.056	3	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ir<6>,2|C<3>}	H(CC[6]HH)	109.4478	0.046	5	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Mn<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4757	0.041	3	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ni<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4669	0.028	8	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ni<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4648	0.029	5	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4670	0.010	3	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Re<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.5130	0.041	5	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Sn<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4720	0.031	4	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Zn<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4861	0.037	8	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Zn<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	112.0913	6.083	3	109.6225	1.110	117	109.5882	0.788	562	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CC[6]HH)	109.4575	0.042	2	109.4647	0.001	17	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	H(CC[6]HH)	109.4657	0.026	15	109.4647	0.001	17	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.4503	0.055	3	109.4686	0.002	9	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.4777	0.046	6	109.4686	0.002	9	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3){1|N<2>,2|C<3>}	H(CC[6]HH)	109.4487	0.026	3	109.4487	0.001	3	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]HH)	109.4917	0.030	3	109.4678	0.001	11	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4658	0.031	5	109.4678	0.001	11	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|H<1>,1|N<2>,2|C<4>}	H(CC[6]HH)	109.4473	0.026	3	109.4678	0.001	11	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]B[3x6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]B[3x6])(CH3){1|C<3>,1|N<3>,2|C<4>}	H(CC[6]HH)	109.4817	0.022	3	109.4817	0.000	3	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3){1|C<3>,1|N<3>,2|F<1>}	H(CC[6]HH)	109.4711	0.033	32	109.4709	0.001	34	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3){1|N<3>,3|C<3>}	H(CC[6]HH)	109.4665	0.009	2	109.4709	0.001	34	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]C[6,6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]C[6,6])(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6]HH)	109.4700	0.010	2	109.4700	0.000	2	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CC[6]HH)	109.4620	0.014	3	109.6238	1.308	22	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4347	0.015	3	109.6238	1.308	22	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.7076	1.392	15	109.6238	1.308	22	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){3|C<3>}	H(CC[6]HH)	109.4200	0.000	1	109.6238	1.308	22	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3){1|C<3>,2|O<2>}	H(CC[6]HH)	109.3904	1.623	8	109.4049	2.049	10	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3){2|C<3>,2|H<1>}	H(CC[6]HH)	109.4630	0.013	2	109.4049	2.049	10	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]P)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]P)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4897	0.019	3	109.4897	0.000	3	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	109.4660	0.036	3	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>}	H(CC[6]HH)	109.4805	0.046	2	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4758	0.021	6	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.4803	0.029	3	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4955	0.036	6	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|F<1>,2|H<1>}	H(CC[6]HH)	109.4185	0.032	2	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]HH)	109.4785	0.030	4	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,4|H<1>}	H(CC[6]HH)	109.4770	0.019	3	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CC[6]HH)	109.4850	0.037	2	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4714	0.027	37	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	H(CC[6]HH)	109.4738	0.026	14	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<3>}	H(CC[6]HH)	109.4747	0.016	3	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<4>}	H(CC[6]HH)	109.4428	0.021	6	109.4718	0.001	91	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]P[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(O[6]P[6])(CH3){1|Cl<1>,1|N<3>,2|O<1>}	H(CC[6]HH)	109.4913	0.013	3	109.4913	0.000	3	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<3>,1|O<2>,2|F<1>}	H(CC[6]HH)	109.4800	0.034	10	109.3660	1.281	16	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|F<1>}	H(CC[6]HH)	109.1760	1.942	6	109.3660	1.281	16	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]HH)	109.4807	0.025	3	109.5303	0.463	96	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HH)	109.4988	0.085	10	109.5303	0.463	96	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6]HH)	109.4840	0.043	3	109.5303	0.463	96	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,2|O<1>}	H(CC[6]HH)	109.6318	1.164	33	109.5303	0.463	96	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CC[6]HH)	109.4833	0.063	3	109.5303	0.463	96	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]HH)	109.4700	0.010	2	109.5303	0.463	96	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4723	0.031	25	109.5303	0.463	96	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|O<1>}	H(CC[6]HH)	109.4697	0.031	3	109.5303	0.463	96	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<3>}	H(CC[6]HH)	109.4437	0.029	3	109.5303	0.463	96	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|S<1>,2|C<3>}	H(CC[6]HH)	109.4760	0.035	3	109.5303	0.463	96	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|S<2>,2|C<3>}	H(CC[6]HH)	109.4765	0.067	8	109.5303	0.463	96	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3){1|C<4>,3|N<3>}	H(CC[6]HH)	109.4573	0.039	3	109.4512	0.001	5	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3){2|Cl<1>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4420	0.028	2	109.4512	0.001	5	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4730	0.023	3	109.4662	0.001	6	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3){1|Cl<1>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4593	0.028	3	109.4662	0.001	6	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]In[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]In[6])(CH3){1|O<2>,3|C<4>}	H(CC[6]HH)	109.4788	0.036	4	109.4788	0.001	4	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3){1|Cl<1>,1|C<4>,4|O<2>}	H(CC[6]HH)	109.4660	0.042	3	109.4615	0.001	8	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3){2|Cl<1>,1|C<4>,3|O<2>}	H(CC[6]HH)	109.4588	0.031	5	109.4615	0.001	8	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<2>,1|O<2>,2|O<1>}	H(CC[6]HH)	109.4897	0.039	6	109.4792	0.002	42	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<2>,3|O<1>}	H(CC[6]HH)	109.4722	0.039	25	109.4792	0.002	42	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<3>,3|O<1>}	H(CC[6]HH)	109.4893	0.057	11	109.4792	0.002	42	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]N)(O[6]B[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]N)(O[6]B[6])(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	110.2830	2.284	9	110.2830	5.218	9	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.5771	0.871	19	109.4965	0.176	80	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<1>}	H(CC[6]HH)	109.4703	0.036	6	109.4965	0.176	80	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6]HH)	109.4648	0.037	39	109.4965	0.176	80	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|Se<2>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4878	0.037	16	109.4965	0.176	80	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(O[6]C[6])(CH3){1|C<3>,3|H<1>}	H(CC[6]HH)	110.3820	0.956	3	110.3820	0.914	3	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	H(CC[6]HH)	109.4445	0.024	8	109.4378	0.005	11	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){2|O<2>,4|C<3>}	H(CC[6]HH)	109.4200	0.146	3	109.4378	0.005	11	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(CC[6]HH)	114.0827	5.758	3	111.7712	19.675	6	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4597	0.012	3	111.7712	19.675	6	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]O)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]O)(O[6]C[6])(CH3){1|C<4>,1|O<1>}	H(CC[6]HH)	109.0563	2.711	3	109.0563	7.347	3	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]S[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]S[6]C)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|O<1>}	H(CC[6]HH)	109.4955	0.013	2	109.4991	0.000	7	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]S[6]C)(O[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]S[6]C)(O[6]C[6])(CH3){1|C<4>,2|H<1>}	H(CC[6]HH)	109.5006	0.022	5	109.4991	0.000	7	109.5332	0.636	504	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-2:C-4:	C-4:	C(C[6]C[6]S[6])(H)3	C[6](C[6]C[6]O)(S[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]S[6])(H)3	C[6](C[6]C[6]O)(S[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6]HH)	109.4685	0.030	6	109.4685	0.001	6	109.4520	0.002	18	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-2:C-4:	C-4:	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|C<4>}	H(CC[6]HH)	109.4725	0.006	2	109.4438	0.003	12	109.4520	0.002	18	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-2:C-4:	C-4:	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|P<4>}	H(CC[6]HH)	109.4230	0.060	5	109.4438	0.003	12	109.4520	0.002	18	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-2:C-4:	C-4:	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3){2|C<3>}	H(CC[6]HH)	109.4530	0.064	5	109.4438	0.003	12	109.4520	0.002	18	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6,6]N[6])(H)3	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(CH3)	H(CC[6]HH)	C(C[6]N[6,6]N[6])(H)3	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(CH3){1|H<1>,1|N<3>,4|C<3>}	H(CC[6]HH)	109.4607	0.054	3	109.4607	0.003	3	109.4607	0.003	3	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6,6a]-3:O[6]-2:C-4:	C-4:	C(C[6]N[6,6a]O[6])(H)3	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3)	H(CC[6]HH)	C(C[6]N[6,6a]O[6])(H)3	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3){1|N<3>,2|O<2>,3|C<3>}	H(CC[6]HH)	109.4798	0.025	5	109.4798	0.001	5	109.4798	0.001	5	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]H)(C[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	112.4607	5.360	3	112.4607	28.725	3	112.4607	28.725	3	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]C)(N[6]B[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]C)(N[6]B[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4755	0.011	2	109.4755	0.000	2	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	110.5136	5.899	12	110.2311	27.926	15	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]C)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]C)(N[6]C[6])(CH3){2|C<3>}	H(CC[6]HH)	109.1013	1.309	3	110.2311	27.926	15	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]Fe)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]Fe)(N[6]C[6])(CH3){1|C<3>,2|N<3>}	H(CC[6]HH)	109.4452	0.051	6	109.4452	0.003	6	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.9667	1.480	3	109.6118	0.505	72	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4595	0.035	11	109.6118	0.505	72	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.8342	1.123	24	109.6118	0.505	72	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,2|N<3>}	H(CC[6]HH)	109.5150	0.031	3	109.6118	0.505	72	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|N<2>,2|N<3>}	H(CC[6]HH)	109.4688	0.031	26	109.6118	0.505	72	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|N<2>}	H(CC[6]HH)	109.4537	0.018	3	109.6118	0.505	72	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)(N[6]C[6])(CH3){3|N<2>}	H(CC[6]HH)	109.4890	0.031	2	109.6118	0.505	72	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]Ni)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]Ni)(N[6]C[6])(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	112.0727	3.234	6	112.0727	10.457	6	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]Pd)(N[6]C[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]Pd)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6]HH)	109.5067	0.011	3	109.5067	0.000	3	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3){1|N<2>,4|C<3>}	H(CC[6]HH)	109.4580	0.028	4	109.4580	0.001	4	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]N[6]C)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]N[6]C)(N[6]N[6])(CH3){1|C<3>}	H(CC[6]HH)	109.4855	0.020	4	109.4739	0.001	28	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]N[6]C)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]N[6]C)(N[6]N[6])(CH3){2|C<3>}	H(CC[6]HH)	109.4720	0.029	24	109.4739	0.001	28	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]N[6a]C[6])(N[6]C[6,6a])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]N[6a]C[6])(N[6]C[6,6a])(CH3){1|S<1>,4|C<3>}	H(CC[6]HH)	109.4787	0.022	6	109.4787	0.000	6	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]P[6,6]C)(N[6]P[6,6])(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]P[6,6]C)(N[6]P[6,6])(CH3){1|S<2>,2|C<3>,2|S<1>}	H(CC[6]HH)	108.3940	1.336	3	108.3940	1.785	3	109.7052	3.674	145	109.6100	1.610	1367	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CBrHH)	H(CC[6]BrH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CBrHH){1|C<4>,1|O<2>,2|C<3>}	H(CC[6]BrH)	113.3030	0.167	2	113.3030	0.028	2	111.4940	4.374	4	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]H)2(CBrHH)	H(CC[6]BrH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]H)2(CBrHH){1|N<3>,2|H<1>}	H(CC[6]BrH)	109.6850	0.066	2	109.6850	0.004	2	111.4940	4.374	4	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH)	H(CC[6]BrH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]BrH)	110.2293	0.028	3	110.2293	0.001	3	110.2293	0.001	3	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH)	H(CC[6]BrH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH){2|C<3>}	H(CC[6]BrH)	109.7790	0.000	1	109.7790	0.000	1	109.7592	0.053	21	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	H(CC[6]BrH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	H(CC[6]BrH)	109.6760	0.103	4	109.6227	0.038	12	109.7592	0.053	21	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	H(CC[6]BrH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){2|C<3>}	H(CC[6]BrH)	109.5961	0.229	8	109.6227	0.038	12	109.7592	0.053	21	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CBrHH)	H(CC[6]BrH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CBrHH){1|H<1>,2|C<3>}	H(CC[6]BrH)	109.9614	0.118	8	109.9614	0.014	8	109.7592	0.053	21	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[3,5,6]H)(C[6]C[6]O)(CClHH)	H(CC[6]ClH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[3,5,6]H)(C[6]C[6]O)(CClHH){1|H<1>,3|C<4>}	H(CC[6]ClH)	108.4750	0.064	2	108.4750	0.004	2	109.1751	0.295	14	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH)	H(CC[6]ClH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH){1|C<3>,2|H<1>}	H(CC[6]ClH)	109.6430	0.049	2	109.7537	0.016	6	109.1751	0.295	14	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH)	H(CC[6]ClH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH){1|Re<6>,1|C<3>,1|H<1>}	H(CC[6]ClH)	109.8090	0.118	4	109.7537	0.016	6	109.1751	0.295	14	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]H)2(CClHH)	H(CC[6]ClH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]H)2(CClHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]ClH)	108.8812	0.073	4	108.8298	0.010	6	109.1751	0.295	14	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]H)2(CClHH)	H(CC[6]ClH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]H)2(CClHH){1|N<3>,2|H<1>}	H(CC[6]ClH)	108.7270	0.013	2	108.8298	0.010	6	109.1751	0.295	14	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH)	H(CC[6]ClH)	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6]ClH)	109.6925	0.005	2	109.6925	0.000	2	109.9783	0.081	7	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	H(CC[6]ClH)	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]ClH)	110.1993	0.098	4	110.0926	0.064	5	109.9783	0.081	7	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	H(CC[6]ClH)	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,2|H<1>}	H(CC[6]ClH)	109.6660	0.000	1	110.0926	0.064	5	109.9783	0.081	7	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Cl)(H)2	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH)	H(CC[6]ClH)	C(C[6]C[6]N[6])(Cl)(H)2	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6]ClH)	109.7420	0.027	2	109.7420	0.001	2	109.6717	0.029	6	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Cl)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CClHH)	H(CC[6]ClH)	C(C[6]C[6]N[6])(Cl)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CClHH){1|C<3>,2|H<1>}	H(CC[6]ClH)	109.4560	0.021	2	109.4560	0.000	2	109.6717	0.029	6	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Cl)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CClHH)	H(CC[6]ClH)	C(C[6]C[6]N[6])(Cl)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CClHH){1|C<3>,2|H<1>}	H(CC[6]ClH)	109.8170	0.006	2	109.8170	0.000	2	109.6717	0.029	6	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:F-1:F-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(F)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CFFH)	H(CC[6]FF)	C(C[6]C[6]N[6])(F)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CFFH){1|H<1>,1|N<2>,4|C<3>}	H(CC[6]FF)	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:F-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(F)(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH)	H(CC[6]FH)	C(C[6]C[6]N[6])(F)(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH){1|N<2>,2|C<3>,2|N<3>}	H(CC[6]FH)	109.7050	0.390	6	109.7050	0.152	6	109.7050	0.152	6	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	B[6]-3:C[6]-3:C-4:	C-4:	C(C[6]B[6]C[6])(H)3	C[6](B[6]C[5]C[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]B[6]C[6])(H)3	C[6](B[6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(CC[6]HH)	109.4958	0.025	6	109.4958	0.001	6	109.4958	0.001	6	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[4,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[4,6]C[6])(H)3	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]O)(CH3)	H(CC[6]HH)	C(C[6]C[4,6]C[6])(H)3	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[6]HH)	109.4650	0.020	3	109.4650	0.000	3	109.4650	0.000	3	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]S[5])2(CH3)	H(CC[6]HH)	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]S[5])2(CH3){1|C<3>,2|N<2>,2|S<2>}	H(CC[6]HH)	109.4543	0.048	3	110.2286	2.791	7	109.6967	0.852	24	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]S[5])2(CH3)	H(CC[6]HH)	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]S[5])2(CH3){2|Se<2>,1|N<3>,2|N<2>}	H(CC[6]HH)	110.8092	2.129	4	110.2286	2.791	7	109.6967	0.852	24	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]N[5,6]O[5])2(CH3)	H(CC[6]HH)	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]N[5,6]O[5])2(CH3){1|Ge<2>,4|C<4>}	H(CC[6]HH)	109.4812	0.062	12	109.4777	0.003	17	109.6967	0.852	24	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]N[5,6]O[5])2(CH3)	H(CC[6]HH)	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]N[5,6]O[5])2(CH3){1|Ge<3>,4|C<4>}	H(CC[6]HH)	109.4694	0.035	5	109.4777	0.003	17	109.6967	0.852	24	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[5,6])(H)3	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[5,6])(H)3	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|O<2>,5|C<3>}	H(CC[6]HH)	109.4678	0.026	5	109.4678	0.001	5	109.4678	0.001	5	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	H(CC[6]HH)	111.8910	1.375	3	111.8910	1.890	3	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(CH3){1|Fe<10>,1|B<4>,1|C<3>,3|C<4>}	H(CC[6]HH)	109.4847	0.046	6	109.4847	0.002	6	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O)(CH3){2|H<1>,2|O<2>,4|C<4>}	H(CC[6]HH)	109.5017	0.038	3	109.5017	0.001	3	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4840	0.004	2	109.4630	0.001	9	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4570	0.041	7	109.4630	0.001	9	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,5|C<3>}	H(CC[6]HH)	109.4720	0.054	3	109.4720	0.003	3	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[4,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[4,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[6]HH)	109.4734	0.039	8	109.4734	0.002	8	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){2|C<4>,3|C<3>}	H(CC[6]HH)	110.8943	0.876	3	110.8943	0.767	3	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6a]O)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	H(CC[6]HH)	109.4733	0.019	6	109.4733	0.000	6	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6]HH)	109.4708	0.026	5	109.4554	0.001	13	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	H(CC[6]HH)	109.4050	0.018	2	109.4554	0.001	13	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4560	0.026	3	109.4554	0.001	13	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	H(CC[6]HH)	109.4627	0.044	3	109.4554	0.001	13	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|P<2>,1|S<1>,2|C<3>}	H(CC[6]HH)	109.9347	1.082	3	109.9347	1.171	3	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.4760	0.047	3	109.4672	0.002	6	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	H(CC[6]HH)	109.4583	0.050	3	109.4672	0.002	6	109.6747	0.474	63	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:N[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]N[5,6])(H)3	C[6](C[5,6]N[5,6]C[5])(N[5,6]C[5,6]B[5])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]N[5,6])(H)3	C[6](C[5,6]N[5,6]C[5])(N[5,6]C[5,6]B[5])(CH3){1|Cl<1>,1|B<4>,6|C<3>}	H(CC[6]HH)	109.4642	0.027	8	109.4642	0.001	8	109.4642	0.001	8	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[5,6]N[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]N[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[6]HH)	109.4645	0.025	2	109.4645	0.001	2	109.4472	0.002	5	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[5,6]N[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6a]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]N[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6a]C[6])(CH3){1|C<4>,1|O<1>,5|C<3>}	H(CC[6]HH)	109.4357	0.062	3	109.4357	0.004	3	109.4472	0.002	5	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[5,6])(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]C[5,6])(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3){1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(CC[6]HH)	109.4637	0.037	3	109.4637	0.001	3	109.4637	0.001	3	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C-4:	C(C[6]C[5a,6]2)(H)3	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]2)(H)3	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3){1|B<4>,1|C<4>,5|C<3>}	H(CC[6]HH)	109.4856	0.039	5	109.4856	0.002	5	109.4637	0.001	50	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C-4:	C(C[6]C[5a,6]2)(H)3	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]2)(H)3	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	H(CC[6]HH)	109.4570	0.029	35	109.4612	0.001	45	109.4637	0.001	50	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C-4:	C(C[6]C[5a,6]2)(H)3	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]2)(H)3	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|H<1>,4|C<3>}	H(CC[6]HH)	109.4762	0.024	10	109.4612	0.001	45	109.4637	0.001	50	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6]HH)	109.4893	0.025	6	109.4893	0.001	6	109.4725	0.001	28	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4167	0.076	3	109.4167	0.006	3	109.4725	0.001	28	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4783	0.012	3	109.4783	0.000	3	109.4725	0.001	28	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	H(CC[6]HH)	109.4660	0.007	2	109.4660	0.000	2	109.4725	0.001	28	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3){1|N<3>,4|C<3>}	H(CC[6]HH)	109.4730	0.000	1	109.4730	0.000	1	109.4725	0.001	28	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3){1|N<3>,3|C<3>}	H(CC[6]HH)	109.4790	0.026	3	109.4790	0.001	3	109.4725	0.001	28	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	H(CC[6]HH)	109.4790	0.016	2	109.4790	0.000	2	109.4725	0.001	28	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	H(CC[6]HH)	109.4717	0.031	3	109.4717	0.001	3	109.4725	0.001	28	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4730	0.030	3	109.4730	0.001	3	109.4725	0.001	28	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4870	0.021	2	109.4870	0.000	2	109.4725	0.001	28	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[5a,6]N[6])(H)3	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]N[6])(H)3	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4870	0.031	3	109.4870	0.001	3	109.4905	0.001	13	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[5a,6]N[6])(H)3	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]N[6])(H)3	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]HH)	109.5024	0.036	5	109.5024	0.001	5	109.4905	0.001	13	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[5a,6]N[6])(H)3	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]N[6])(H)3	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3){1|C<4>,3|C<3>}	H(CC[6]HH)	109.4860	0.037	3	109.4860	0.001	3	109.4905	0.001	13	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[5a,6]N[6])(H)3	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5a,6]N[6])(H)3	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4730	0.041	2	109.4730	0.002	2	109.4905	0.001	13	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3x6]O[6])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3x6]O[6])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4760	0.033	5	109.4760	0.001	5	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	H(CC[6]HH)	109.4723	0.017	10	109.4723	0.000	10	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6]HH)	109.4710	0.048	6	109.4710	0.002	6	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6]HH)	109.4773	0.034	10	109.4713	0.001	25	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(CC[6]HH)	109.4673	0.034	15	109.4713	0.001	25	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CC[6]HH)	109.4673	0.043	13	109.4673	0.002	13	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	H(CC[6]HH)	109.4617	0.040	3	109.4617	0.002	3	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6]HH)	111.4887	1.165	3	111.4887	1.357	3	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(CC[6]HH)	109.4525	0.011	2	109.4734	0.000	11	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<1>,2|H<1>,3|C<4>}	H(CC[6]HH)	109.4843	0.020	3	109.4734	0.000	11	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CC[6]HH)	109.4748	0.019	6	109.4734	0.000	11	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(CC[6]HH)	109.4640	0.100	8	109.4668	0.006	14	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(CC[6]HH)	109.4420	0.012	3	109.4668	0.006	14	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[6]HH)	109.4990	0.009	3	109.4668	0.006	14	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[6]HH)	109.4807	0.042	10	109.6146	0.305	28	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	110.7420	1.402	3	109.6146	0.305	28	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[6]HH)	109.4660	0.054	3	109.6146	0.305	28	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(CC[6]HH)	109.4873	0.027	3	109.6146	0.305	28	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	H(CC[6]HH)	109.4794	0.032	9	109.6146	0.305	28	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6]HH)	109.4877	0.046	3	109.4877	0.002	3	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[3,6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[3,6]O)(CH3){3|C<4>,3|O<2>}	H(CC[6]HH)	109.4567	0.023	3	109.4567	0.001	3	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,2|C<4>}	H(CC[6]HH)	110.0283	1.491	3	110.0283	2.223	3	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	H(CC[6]HH)	109.4865	0.011	2	109.4865	0.000	2	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	H(CC[6]HH)	109.4719	0.025	10	109.4719	0.001	10	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4525	0.011	2	109.4525	0.000	2	109.5539	0.202	141	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6]N[6])(H)3	C[6](C[6,6]C[6,6]O[6])(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]N[6])(H)3	C[6](C[6,6]C[6,6]O[6])(N[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4670	0.018	2	109.4670	0.000	2	110.4118	1.148	5	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6]N[6])(H)3	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]N[6])(H)3	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(CC[6]HH)	111.0417	0.899	3	111.0417	0.807	3	110.4118	1.148	5	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(CH3){1|H<1>,1|N<3>,5|C<3>}	H(CC[6]HH)	109.4625	0.040	2	109.4625	0.002	2	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4354	0.035	5	109.4354	0.001	5	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4700	0.020	2	109.4700	0.000	2	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(CH3){1|H<1>,5|C<3>}	H(CC[6]HH)	109.4460	0.015	3	109.4460	0.000	3	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]S[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]S[6]H)(CH3){1|H<1>,3|C<3>}	H(CC[6]HH)	109.4840	0.008	2	109.4840	0.000	2	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4917	0.019	3	109.4917	0.000	3	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(CH3){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	H(CC[6]HH)	109.4647	0.024	3	109.4647	0.001	3	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4823	0.071	3	109.4823	0.005	3	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CH3){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	H(CC[6]HH)	109.5010	0.017	2	109.5010	0.000	2	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[6]HH)	109.4600	0.030	3	109.4679	0.001	35	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4733	0.035	22	109.4679	0.001	35	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	H(CC[6]HH)	109.4585	0.034	10	109.4679	0.001	35	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4645	0.029	4	109.6178	0.458	212	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6]HH)	110.8290	2.984	6	109.6178	0.458	212	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]HH)	109.4868	0.024	5	109.6178	0.458	212	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4770	0.008	2	109.6178	0.458	212	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.4693	0.037	7	109.6178	0.458	212	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.5947	0.482	185	109.6178	0.458	212	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,3|H<1>}	H(CC[6]HH)	109.4813	0.017	3	109.6178	0.458	212	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4587	0.027	8	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	H(CC[6]HH)	109.5107	0.024	3	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.2818	1.603	17	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4710	0.017	2	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]HH)	109.4860	0.021	3	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]HH)	109.5026	0.080	5	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.3228	1.674	5	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.4640	0.036	35	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	H(CC[6]HH)	109.5500	1.861	2	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CC[6]HH)	109.4700	0.026	9	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	H(CC[6]HH)	109.4577	0.030	7	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.5046	0.157	52	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(CC[6]HH)	109.4783	0.013	3	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4387	0.031	3	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	H(CC[6]HH)	109.4770	0.024	3	109.4568	0.371	157	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CH3){2|H<1>,2|O<2>,4|C<3>}	H(CC[6]HH)	109.4830	0.034	2	109.4830	0.001	2	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	H(CC[6]HH)	110.3155	1.183	6	110.3155	1.399	6	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|F<1>,1|O<1>,3|C<3>}	H(CC[6]HH)	109.4647	0.012	3	109.4683	0.000	9	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CC[6]HH)	109.4702	0.015	6	109.4683	0.000	9	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(CC[6]HH)	109.4860	0.026	6	109.4860	0.001	6	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6]HH)	111.2160	0.779	11	111.2160	0.607	11	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4700	0.004	2	109.4700	0.000	2	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(CH3){1|H<1>,3|C<3>}	H(CC[6]HH)	109.5097	0.036	3	109.5097	0.001	3	109.5845	0.437	468	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(CH3){1|H<1>,2|O<2>,3|C<3>}	H(CC[6]HH)	110.7910	1.316	11	110.7910	1.732	11	109.6865	0.782	53	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	H(CC[6]HH)	109.4770	0.037	3	109.4770	0.001	3	109.6865	0.782	53	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Cu)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Cu)(CH3){1|H<1>,4|C<3>}	H(CC[6]HH)	109.4695	0.021	8	109.4695	0.000	8	109.6865	0.782	53	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(CC[6]HH)	109.4757	0.025	3	109.4757	0.001	3	109.6865	0.782	53	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[6]HH)	109.4715	0.039	2	109.4715	0.002	2	109.6865	0.782	53	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4648	0.007	6	109.2858	0.378	17	109.6865	0.782	53	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|H<1>,4|C<3>}	H(CC[6]HH)	108.8486	1.082	5	109.2858	0.378	17	109.6865	0.782	53	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(CC[6]HH)	109.4710	0.029	6	109.2858	0.378	17	109.6865	0.782	53	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CH3){2|H<1>,5|C<3>}	H(CC[6]HH)	109.4577	0.018	3	109.4577	0.000	3	109.6865	0.782	53	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6,6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6a]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>,3|O<2>}	H(CC[6]HH)	109.4825	0.069	6	109.4825	0.005	6	109.6865	0.782	53	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]B[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]B[6]H)(C[6]C[6]H)(CH3){1|Mg<6>,1|C<3>,1|C<4>,1|N<4>}	H(CC[6]HH)	112.1557	2.523	12	112.1557	6.368	12	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(CH3){4|C<4>}	H(CC[6]HH)	109.4757	0.031	3	109.4757	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]H)(C[6]C[6]H)(CH3){1|P<3>,3|C<4>}	H(CC[6]HH)	109.5040	0.023	2	109.5040	0.001	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(CC[6]HH)	109.4627	0.026	3	109.4627	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	H(CC[6]HH)	109.4593	0.032	3	109.5420	0.053	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.6247	0.331	3	109.5420	0.053	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CH3){1|O<2>,4|C<4>}	H(CC[6]HH)	109.4610	0.000	1	109.4610	0.000	1	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>}	H(CC[6]HH)	109.4787	0.026	3	109.4787	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6]HH)	109.4490	0.020	3	109.4490	0.000	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]O)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	H(CC[6]HH)	109.4810	0.011	3	109.4810	0.000	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]O)(C[6]C[6]I)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]O)(C[6]C[6]I)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.4370	0.008	2	109.4370	0.000	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[4,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[4,6]H)(C[6]C[6]H)(CH3){4|C<4>}	H(CC[6]HH)	109.4453	0.023	3	109.4453	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[4,6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[4,6]H)(C[6]C[6]O)(CH3){1|C<4>,1|C<6>,3|H<1>}	H(CC[6]HH)	109.5533	0.021	3	109.5533	0.000	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,5,6]H)(C[6]C[5,6,6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,5,6]H)(C[6]C[5,6,6]O)(CH3){1|O<2>,4|C<4>}	H(CC[6]HH)	107.5463	5.446	3	107.5463	29.660	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,5,6]H)(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	H(CC[6]HH)	109.4970	0.013	2	109.4970	0.000	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6]HH)	109.4635	0.032	2	109.4635	0.001	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]O)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6]HH)	109.4712	0.062	5	109.4712	0.004	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.5013	0.012	3	109.5013	0.000	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]S)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]S)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.4713	0.017	3	109.4713	0.000	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Cr<10>,3|C<4>}	H(CC[6]HH)	109.4590	0.041	5	109.5428	0.234	183	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<12>,3|C<4>}	H(CC[6]HH)	109.7709	1.195	18	109.5428	0.234	183	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<13>,3|C<4>}	H(CC[6]HH)	109.4790	0.068	4	109.5428	0.234	183	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Rh<8>,3|C<4>}	H(CC[6]HH)	109.4420	0.040	7	109.5428	0.234	183	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Sc<12>,3|C<4>}	H(CC[6]HH)	109.4833	0.027	3	109.5428	0.234	183	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<10>,3|C<4>}	H(CC[6]HH)	109.4610	0.018	3	109.5428	0.234	183	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<9>,3|C<4>}	H(CC[6]HH)	109.4610	0.051	5	109.5428	0.234	183	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<12>,3|C<4>}	H(CC[6]HH)	109.5957	0.515	63	109.5428	0.234	183	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	H(CC[6]HH)	109.4739	0.039	71	109.5428	0.234	183	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<9>,3|C<4>}	H(CC[6]HH)	109.4590	0.031	4	109.5428	0.234	183	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]P[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]P[6]H)(CH3){1|C<3>,1|P<4>}	H(CC[6]HH)	108.7170	4.117	3	108.7170	16.946	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4833	0.052	6	109.4833	0.003	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	H(CC[6]HH)	109.5104	0.034	5	109.5104	0.001	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4793	0.034	10	109.5860	0.178	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	H(CC[6]HH)	109.4650	0.014	3	109.5860	0.178	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|H<1>,2|N<3>}	H(CC[6]HH)	109.4723	0.036	3	109.5860	0.178	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<4>}	H(CC[6]HH)	109.4587	0.031	3	109.5860	0.178	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|Ru<7>,1|H<1>,2|C<4>}	H(CC[6]HH)	109.4333	0.030	3	109.5860	0.178	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	H(CC[6]HH)	110.5907	0.835	3	109.5860	0.178	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	H(CC[6]HH)	109.4517	0.032	3	109.5860	0.178	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4488	0.033	4	109.4621	0.001	17	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4517	0.028	3	109.4621	0.001	17	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>}	H(CC[6]HH)	109.4768	0.017	5	109.4621	0.001	17	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4607	0.039	3	109.4621	0.001	17	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(CC[6]HH)	109.4700	0.010	2	109.4621	0.001	17	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(CH3){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4732	0.025	5	109.4732	0.001	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6]HH)	109.4695	0.022	2	109.4695	0.000	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4723	0.043	3	109.4723	0.002	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){1|H<1>,3|C<3>}	H(CC[6]HH)	109.5147	0.037	3	110.3284	1.923	9	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>}	H(CC[6]HH)	109.4627	0.028	3	110.3284	1.923	9	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	112.0080	1.159	3	110.3284	1.923	9	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6]HH)	109.9047	7.852	3	109.9047	61.654	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]HH)	109.4470	0.079	3	109.4462	0.003	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4453	0.017	3	109.4462	0.003	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>}	H(CC[6]HH)	109.4800	0.042	2	109.4800	0.002	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,1|O<2>}	H(CC[6]HH)	109.4505	0.015	2	109.4505	0.000	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4620	0.044	6	109.4620	0.002	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.5010	0.071	3	109.5010	0.005	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(CH3){1|Mg<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4442	0.041	5	109.4442	0.002	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	H(CC[6]HH)	109.4770	0.010	4	109.4770	0.000	4	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HH)	110.9170	0.223	3	109.8994	0.504	10	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4640	0.027	3	109.8994	0.504	10	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CC[6]HH)	109.4627	0.019	4	109.8994	0.504	10	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4659	0.033	20	109.5720	0.259	29	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4675	0.035	2	109.5720	0.259	29	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	H(CC[6]HH)	109.5045	0.081	2	109.5720	0.259	29	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	H(CC[6]HH)	110.0650	1.200	5	109.5720	0.259	29	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]HH)	109.4723	0.025	3	109.4723	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4855	0.030	2	109.4681	0.002	22	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4619	0.035	9	109.4681	0.002	22	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	H(CC[6]HH)	109.4651	0.059	9	109.4681	0.002	22	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]HH)	109.4925	0.006	2	109.4681	0.002	22	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(CH3){1|Ru<5>,2|C<3>}	H(CC[6]HH)	109.4720	0.055	5	109.4720	0.003	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3){1|O<2>,2|C<4>}	H(CC[6]HH)	109.4533	0.033	3	109.4577	0.001	7	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3){1|Os<8>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4610	0.026	4	109.4577	0.001	7	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3){1|O<1>,3|C<4>}	H(CC[6]HH)	109.4407	0.055	3	109.4407	0.003	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4410	0.014	2	109.4410	0.000	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	110.0560	0.448	3	109.5757	0.085	16	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,2|C<4>}	H(CC[6]HH)	109.4650	0.081	3	109.5757	0.085	16	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4425	0.040	2	109.5757	0.085	16	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.4550	0.023	2	109.5757	0.085	16	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|O<1>,3|N<3>}	H(CC[6]HH)	109.4753	0.049	3	109.5757	0.085	16	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4760	0.021	3	109.5757	0.085	16	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]I)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]I)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.4728	0.038	5	109.4728	0.001	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	H(CC[6]HH)	109.4652	0.039	4	109.4652	0.001	4	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4650	0.032	3	109.4732	0.001	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4855	0.030	2	109.4732	0.001	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6,6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4853	0.019	3	109.4853	0.000	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cd<8>,2|C<3>}	H(CC[6]HH)	109.4775	0.078	8	109.5670	0.252	193	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Co<6>,2|C<3>}	H(CC[6]HH)	110.1414	0.582	12	109.5670	0.252	193	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cr<10>,2|C<3>}	H(CC[6]HH)	113.0240	1.004	3	109.5670	0.252	193	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cr<6>,2|C<3>}	H(CC[6]HH)	109.4640	0.015	5	109.5670	0.252	193	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cu<4>,2|C<3>}	H(CC[6]HH)	109.4836	0.050	14	109.5670	0.252	193	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cu<6>,2|C<3>}	H(CC[6]HH)	109.4582	0.027	6	109.5670	0.252	193	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Fe<6>,2|C<3>}	H(CC[6]HH)	109.4960	0.116	16	109.5670	0.252	193	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Mn<6>,2|C<3>}	H(CC[6]HH)	109.4924	0.064	17	109.5670	0.252	193	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Ni<6>,2|C<3>}	H(CC[6]HH)	109.4621	0.083	89	109.5670	0.252	193	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Re<6>,2|C<3>}	H(CC[6]HH)	109.4561	0.072	17	109.5670	0.252	193	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Zn<6>,2|C<3>}	H(CC[6]HH)	109.4678	0.042	6	109.5670	0.252	193	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|O<1>,4|C<3>}	H(CC[6]HH)	109.4512	0.059	5	109.4512	0.003	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.5337	0.028	3	109.5337	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4610	0.040	4	109.4610	0.002	4	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>}	H(CC[6]HH)	109.4716	0.063	10	109.4679	0.003	22	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	109.4433	0.072	6	109.4679	0.003	22	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	H(CC[6]HH)	109.4863	0.026	6	109.4679	0.003	22	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4820	0.039	3	109.5105	0.004	20	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|Cu<5>,2|C<3>}	H(CC[6]HH)	109.5238	0.081	8	109.5105	0.004	20	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	109.4983	0.016	3	109.5105	0.004	20	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|Zn<4>,2|C<3>}	H(CC[6]HH)	109.5133	0.054	6	109.5105	0.004	20	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	109.4767	0.037	3	109.4767	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CH3){1|O<1>,4|C<3>}	H(CC[6]HH)	109.4492	0.025	6	109.4492	0.001	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	109.4960	0.033	3	109.4960	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	109.7901	1.073	20	109.7057	0.863	27	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>}	H(CC[6]HH)	109.4670	0.025	3	109.7057	0.863	27	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){3|C<3>}	H(CC[6]HH)	109.4627	0.011	4	109.7057	0.863	27	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	109.4552	0.022	6	109.4717	0.003	9	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|Os<10>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.5047	0.087	3	109.4717	0.003	9	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	109.4713	0.049	38	109.4713	0.002	38	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<2>,1|W<8>,2|C<3>}	H(CC[6]HH)	109.4867	0.020	3	109.4867	0.000	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4572	0.050	5	109.4572	0.003	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CC[6]HH)	109.4847	0.039	3	109.4847	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.4785	0.009	2	109.4785	0.000	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	H(CC[6]HH)	109.4890	0.033	3	109.4890	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|O<1>}	H(CC[6]HH)	109.5013	0.033	3	109.5013	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)2(CH3){1|C<4>,2|N<3>}	H(CC[6]HH)	109.4522	0.022	6	109.4522	0.000	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,2|C<3>}	H(CC[6]HH)	109.4907	0.067	3	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4523	0.854	6	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	112.4760	1.212	3	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<2>}	H(CC[6]HH)	109.4758	0.024	4	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	H(CC[6]HH)	109.4637	0.036	25	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.4557	0.041	3	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(CC[6]HH)	109.4768	0.015	4	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	117.1057	10.758	3	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4450	0.040	2	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	H(CC[6]HH)	109.4540	0.009	3	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	H(CC[6]HH)	109.7237	0.670	82	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|O<1>}	H(CC[6]HH)	109.4600	0.014	3	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	109.4587	0.033	3	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4590	0.019	3	109.8261	3.172	147	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	109.4607	0.034	3	109.4733	0.001	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|N<3>,2|O<1>}	H(CC[6]HH)	109.4748	0.032	25	109.4733	0.001	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HH)	111.0324	1.806	11	110.2695	4.561	61	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	109.4721	0.039	21	110.2695	4.561	61	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.4303	0.018	3	110.2695	4.561	61	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6]HH)	109.4557	0.024	3	110.2695	4.561	61	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(CC[6]HH)	109.4792	0.028	5	110.2695	4.561	61	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4667	0.015	3	110.2695	4.561	61	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|N<3>,4|H<1>}	H(CC[6]HH)	109.5033	0.011	3	110.2695	4.561	61	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	113.8407	4.380	6	110.2695	4.561	61	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	110.3607	2.752	6	110.2695	4.561	61	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4637	2.387	6	109.4637	5.699	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4772	0.055	6	109.8153	1.286	83	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.9529	1.322	59	109.8153	1.286	83	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Co<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4659	0.027	7	109.8153	1.286	83	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4647	0.017	3	109.8153	1.286	83	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4453	0.020	3	109.8153	1.286	83	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4663	0.029	3	109.8153	1.286	83	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Ti<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.5965	0.452	2	109.8153	1.286	83	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	H(CC[6]HH)	109.4785	0.013	2	109.4785	0.000	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]O[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]O[6]O)(CH3){1|C<4>,2|H<1>}	H(CC[6]HH)	110.2042	0.784	6	110.2042	0.615	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|C<3>,1|H<1>,1|W<6>}	H(CC[6]HH)	109.4661	0.059	8	109.6132	2.252	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.4905	0.022	4	109.6132	2.252	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Mn<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4850	0.016	2	109.6132	2.252	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Sm<12>,1|C<3>,1|H<1>}	H(CC[6]HH)	110.7730	5.301	3	109.6132	2.252	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Tm<12>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4840	0.081	5	109.6132	2.252	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Yb<12>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4618	0.047	6	109.6132	2.252	28	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CH3){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]HH)	109.4675	0.008	2	110.3842	9.897	17	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CH3){1|C<4>,4|H<1>}	H(CC[6]HH)	110.8600	0.162	3	110.3842	9.897	17	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	H(CC[6]HH)	109.4733	0.022	9	110.3842	9.897	17	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CH3){3|C<3>}	H(CC[6]HH)	113.2520	7.867	3	110.3842	9.897	17	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]HH)	110.4690	1.511	6	110.4690	2.283	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6]HH)	108.9477	0.930	3	108.9477	0.865	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4500	0.025	2	109.7754	4.506	52	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[6]HH)	109.5393	0.026	3	109.7754	4.506	52	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	110.2368	4.398	12	109.7754	4.506	52	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,4|H<1>}	H(CC[6]HH)	109.4894	0.046	5	109.7754	4.506	52	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.9700	1.061	9	109.7754	4.506	52	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	H(CC[6]HH)	109.4735	0.025	8	109.7754	4.506	52	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|Ir<7>,1|C<3>,2|C<4>}	H(CC[6]HH)	109.9410	0.132	3	109.7754	4.506	52	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.5174	0.563	10	109.7754	4.506	52	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<2>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4710	0.007	2	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6]HH)	109.4828	0.041	10	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	109.4967	0.043	3	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4860	0.007	4	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4640	0.037	3	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.4516	0.033	8	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,2|O<2>}	H(CC[6]HH)	109.4647	0.026	3	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4786	0.042	5	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]HH)	108.0285	4.235	6	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]HH)	109.4818	0.035	6	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4701	0.026	45	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	H(CC[6]HH)	109.4789	0.040	16	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4787	0.016	3	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|P<3>,2|C<3>}	H(CC[6]HH)	110.6837	5.323	6	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4743	0.032	22	109.4637	1.793	142	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<2>,2|C<4>}	H(CC[6]HH)	109.2877	0.112	3	109.2877	0.013	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4770	0.062	3	109.8656	2.695	60	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	110.0633	1.989	40	109.8656	2.695	60	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4667	0.022	6	109.8656	2.695	60	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4768	0.043	5	109.8656	2.695	60	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Rh<8>,1|H<1>,2|C<4>}	H(CC[6]HH)	109.4760	0.014	2	109.8656	2.695	60	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4590	0.090	4	109.8656	2.695	60	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Al<3>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4720	0.000	1	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Al<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4621	0.073	9	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4660	0.037	5	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4610	0.034	2	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	110.0012	1.177	145	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	109.4710	0.035	5	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|D<1>,1|H<1>}	H(CC[6]HH)	109.4883	0.022	3	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HH)	110.4430	1.300	3	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4813	0.019	3	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.4730	0.047	20	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4895	0.032	2	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<3>}	H(CC[6]HH)	109.4882	0.016	5	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6]HH)	109.4603	0.016	3	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4722	0.039	26	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	110.1337	2.114	214	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4751	0.034	16	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ca<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4734	0.029	10	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cd<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4645	0.030	11	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4809	0.038	8	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4635	0.024	4	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<8>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4250	0.027	2	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cr<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4758	0.044	6	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4841	0.041	8	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.5456	0.465	53	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4567	0.043	4	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.6925	6.742	40	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4740	0.007	2	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Eu<13>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4904	0.053	5	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Eu<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4746	0.040	7	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4847	0.084	3	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4619	0.037	54	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4565	0.046	6	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	110.0888	1.593	85	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4757	0.039	3	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Hg<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4707	0.034	15	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Hg<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4666	0.061	5	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4681	0.039	17	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4903	0.032	7	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.7720	1.152	41	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mg<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4811	0.029	8	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mg<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4765	0.077	6	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4770	0.031	4	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4779	0.028	16	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mo<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4811	0.036	16	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mo<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.5115	0.005	2	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4237	0.040	8	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	110.9840	5.132	3	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4322	0.320	22	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.9690	2.273	26	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Os<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.6218	0.873	21	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<2>,1|C<3>}	H(CC[6]HH)	109.4730	0.006	2	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4734	0.035	20	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.8764	0.756	12	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|N<3>}	H(CC[6]HH)	109.4712	0.035	8	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.5073	0.326	22	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4653	0.049	53	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4601	0.034	7	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4492	0.062	25	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4692	0.049	13	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4789	0.030	26	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Rh<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4723	0.016	3	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	112.8412	3.719	12	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	110.1902	1.135	37	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4710	0.040	7	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4663	0.036	4	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ti<12>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4634	0.031	8	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|U<16>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4903	0.044	3	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4738	0.047	17	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4738	0.062	22	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4633	0.031	6	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4865	0.082	8	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4615	0.035	6	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){4|C<4>}	H(CC[6]HH)	109.4630	0.035	3	109.7687	2.927	1314	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.7343	1.183	62	109.7714	1.295	105	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Co<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4785	0.040	6	109.7714	1.295	105	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4791	0.048	12	109.7714	1.295	105	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4644	0.030	5	109.7714	1.295	105	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4888	0.046	6	109.7714	1.295	105	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Li<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	111.9732	1.834	6	109.7714	1.295	105	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4860	0.014	2	109.7714	1.295	105	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Ni<4>,1|C<3>,2|C<4>}	H(CC[6]HH)	109.4713	0.016	3	109.7714	1.295	105	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4570	0.043	3	109.7714	1.295	105	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	H(CC[6]HH)	109.4816	0.045	31	109.4737	0.002	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4534	0.057	12	109.4737	0.002	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]O[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]O[6]O)(CH3){1|C<4>,2|H<1>}	H(CC[6]HH)	109.4247	0.012	3	109.4247	0.000	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|C<4>}	H(CC[6]HH)	109.4728	0.030	5	109.4815	0.003	19	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.4710	0.036	6	109.4815	0.003	19	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4947	0.075	8	109.4815	0.003	19	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]S[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]S[6]H)(CH3){1|C<4>,1|N<3>,2|O<1>}	H(CC[6]HH)	109.4717	0.029	3	109.4717	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Br<1>,1|C<3>}	H(CC[6]HH)	109.5390	0.146	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Br<1>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4702	0.104	8	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<2>,2|H<1>}	H(CC[6]HH)	109.5369	0.075	7	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4993	0.036	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>,1|V<7>}	H(CC[6]HH)	109.4583	0.037	15	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>,1|W<7>}	H(CC[6]HH)	109.4850	0.043	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.5080	0.039	5	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.5222	0.442	731	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6]HH)	109.4360	0.000	1	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	108.6531	7.932	21	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.9544	0.999	37	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|S<4>}	H(CC[6]HH)	109.4963	0.024	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<3>,3|C<4>}	H(CC[6]HH)	109.4433	0.028	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<3>,3|H<1>}	H(CC[6]HH)	109.4837	0.100	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>,1|V<9>}	H(CC[6]HH)	109.4548	0.043	8	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.6806	0.700	102	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<4>}	H(CC[6]HH)	109.4340	0.080	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<3>}	H(CC[6]HH)	109.4663	0.042	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	H(CC[6]HH)	111.1642	2.234	13	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|S<3>}	H(CC[6]HH)	109.4677	0.024	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|N<3>,1|O<2>}	H(CC[6]HH)	109.4421	0.205	8	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	110.4136	2.839	17	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	H(CC[6]HH)	109.5337	0.906	35	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|N<3>}	H(CC[6]HH)	109.4274	0.108	5	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<5>,2|C<3>}	H(CC[6]HH)	109.4103	0.042	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|C<5>,2|C<4>}	H(CC[6]HH)	109.4557	0.037	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Cu<6>,3|C<4>}	H(CC[6]HH)	109.4913	0.041	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Dy<15>,1|O<3>,2|C<4>}	H(CC[6]HH)	109.4213	0.171	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Fe<10>,3|C<4>}	H(CC[6]HH)	109.4613	0.020	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Gd<17>,1|O<3>,2|C<4>}	H(CC[6]HH)	109.4816	0.015	5	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.6483	1.088	51	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|N<4>}	H(CC[6]HH)	109.4440	0.043	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	H(CC[6]HH)	109.7138	0.882	36	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|P<4>}	H(CC[6]HH)	109.4635	0.031	4	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	110.3579	1.837	19	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	H(CC[6]HH)	109.5358	0.630	174	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|C<3>,1|H<1>,1|H<2>}	H(CC[6]HH)	109.4480	0.048	2	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|C<3>,2|C<4>}	H(CC[6]HH)	109.8043	0.219	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|H<1>,2|N<3>}	H(CC[6]HH)	109.5108	0.103	5	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|La<22>,1|C<5>,2|C<4>}	H(CC[6]HH)	109.4697	0.089	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Mo<10>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4650	0.038	2	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Mo<9>,1|C<3>,2|C<4>}	H(CC[6]HH)	109.4693	0.023	4	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	H(CC[6]HH)	109.5032	1.298	120	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	H(CC[6]HH)	109.5278	1.062	642	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|N<3>}	H(CC[6]HH)	109.5447	0.070	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4580	0.042	5	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,3|C<4>}	H(CC[6]HH)	109.4523	0.034	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ni<5>,3|C<4>}	H(CC[6]HH)	109.4790	0.000	1	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|O<1>,2|C<4>}	H(CC[6]HH)	109.4715	0.034	4	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|O<2>,2|C<4>}	H(CC[6]HH)	109.4633	0.255	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|O<3>,2|C<4>}	H(CC[6]HH)	109.4622	0.039	9	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|P<4>,2|C<4>}	H(CC[6]HH)	109.4604	0.055	12	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Pd<5>,3|C<4>}	H(CC[6]HH)	109.4875	0.058	6	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.5250	0.010	2	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,3|C<4>}	H(CC[6]HH)	109.4689	0.071	9	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Rh<8>,1|Ru<9>,1|H<1>,1|N<4>}	H(CC[6]HH)	109.4273	0.023	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ru<10>,1|H<1>,2|N<3>}	H(CC[6]HH)	109.4797	0.061	4	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ru<6>,1|C<3>,2|C<4>}	H(CC[6]HH)	109.4514	0.040	5	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ru<6>,3|C<4>}	H(CC[6]HH)	109.4617	0.023	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ru<9>,1|C<4>,1|H<1>,1|N<4>}	H(CC[6]HH)	109.4522	0.044	6	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|S<3>,2|C<4>}	H(CC[6]HH)	109.4574	0.054	5	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ta<11>,1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4647	0.056	13	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ta<12>,1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4743	0.063	9	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Th<14>,1|C<4>,1|H<1>,1|H<2>}	H(CC[6]HH)	109.4810	0.043	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Ti<11>,1|C<4>,1|H<1>,1|H<2>}	H(CC[6]HH)	109.4250	0.047	2	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4486	0.066	21	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|N<3>,2|C<4>}	H(CC[6]HH)	109.4587	0.049	6	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|W<10>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4265	0.006	2	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Y<11>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6]HH)	109.4527	0.050	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Y<15>,1|H<1>,2|N<3>}	H(CC[6]HH)	109.4983	0.024	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Y<15>,1|O<3>,2|C<4>}	H(CC[6]HH)	109.4713	0.087	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Y<16>,1|C<4>,1|C<5>,1|N<3>}	H(CC[6]HH)	109.4790	0.035	4	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Zr<10>,1|C<5>,2|C<4>}	H(CC[6]HH)	110.4280	1.609	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Zr<12>,1|H<1>,2|N<3>}	H(CC[6]HH)	109.4584	0.074	17	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Zr<13>,1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4462	0.039	5	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Zr<14>,1|C<3>,2|H<1>}	H(CC[6]HH)	109.4673	0.028	6	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){1|Zr<14>,1|N<3>,2|C<4>}	H(CC[6]HH)	109.4993	0.025	3	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){3|C<3>}	H(CC[6]HH)	108.2093	5.543	7	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){3|C<4>}	H(CC[6]HH)	109.4712	0.436	121	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(CH3){3|N<3>}	H(CC[6]HH)	109.4803	0.069	9	109.5443	1.290	2451	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4976	0.040	5	109.4976	0.002	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4820	0.038	5	109.4820	0.001	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4620	0.029	7	109.4726	0.004	110	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.4737	0.069	85	109.4726	0.004	110	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Cd<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4654	0.018	5	109.4726	0.004	110	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4622	0.032	4	109.4726	0.004	110	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4823	0.065	6	109.4726	0.004	110	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4750	0.024	3	109.4726	0.004	110	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)2(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	109.4763	0.016	3	109.4763	0.000	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3){1|Ru<6>,2|C<3>,3|C<4>}	H(CC[6]HH)	109.4525	0.026	2	109.4875	0.002	4	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3){1|Ru<6>,2|C<4>,3|C<3>}	H(CC[6]HH)	109.5225	0.016	2	109.4875	0.002	4	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6]HH)	109.5067	0.040	3	109.4704	0.002	20	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Mn<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	H(CC[6]HH)	109.4660	0.018	3	109.4704	0.002	20	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Re<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	H(CC[6]HH)	109.4227	0.044	3	109.4704	0.002	20	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Rh<8>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6]HH)	109.4644	0.046	5	109.4704	0.002	20	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4835	0.038	6	109.4704	0.002	20	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3){2|H<1>,3|C<3>}	H(CC[6]HH)	109.4783	0.010	3	109.4783	0.000	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Co<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4890	0.025	3	109.4757	0.002	79	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4682	0.030	6	109.4757	0.002	79	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4802	0.041	50	109.4757	0.002	79	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4819	0.033	7	109.4757	0.002	79	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4404	0.054	7	109.4757	0.002	79	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4557	0.034	3	109.4757	0.002	79	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Zn<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4900	0.044	3	109.4757	0.002	79	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4910	0.055	3	109.4705	0.002	77	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4745	0.011	2	109.4705	0.002	77	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Co<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4665	0.009	2	109.4705	0.002	77	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4703	0.024	3	109.4705	0.002	77	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4718	0.043	44	109.4705	0.002	77	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4483	0.042	9	109.4705	0.002	77	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4739	0.030	8	109.4705	0.002	77	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4627	0.038	3	109.4705	0.002	77	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Zn<6>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4960	0.026	3	109.4705	0.002	77	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(CH3){1|H<1>,2|C<4>}	H(CC[6]HH)	111.0973	0.681	6	111.0973	0.464	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]O[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]O[6]H)(CH3){1|H<1>,2|C<4>}	H(CC[6]HH)	110.4910	0.200	3	110.4910	0.040	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	109.4866	0.044	5	109.9209	5.280	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4830	0.021	3	109.9209	5.280	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6]HH)	109.4527	0.017	3	109.9209	5.280	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4393	0.046	4	109.9209	5.280	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3){1|C<3>,3|C<4>}	H(CC[6]HH)	109.4775	0.027	6	109.9209	5.280	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CC[6]HH)	114.7260	5.586	3	109.9209	5.280	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	H(CC[6]HH)	109.6610	2.167	19	109.9209	5.280	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]S)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]S)2(CH3){1|N<3>,2|H<1>}	H(CC[6]HH)	109.4290	0.054	3	109.4290	0.003	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.4525	0.056	2	109.4525	0.003	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CH3){1|C<4>,6|C<3>}	H(CC[6]HH)	109.4943	0.031	3	109.4943	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CH3){1|H<1>,5|C<3>}	H(CC[6]HH)	109.4533	0.021	3	109.4533	0.000	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(CH3){1|Cu<4>,1|H<1>,5|C<3>}	H(CC[6]HH)	109.4635	0.068	6	109.4635	0.005	6	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[6]HH)	109.4810	0.021	8	109.4684	0.001	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,4|C<3>}	H(CC[6]HH)	109.4470	0.037	6	109.4684	0.001	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|Rh<6>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4875	0.090	2	109.4684	0.001	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){2|C<4>,3|C<3>}	H(CC[6]HH)	109.4680	0.031	27	109.4684	0.001	43	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>}	H(CC[6]HH)	109.4623	0.043	3	109.4623	0.002	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	H(CC[6]HH)	109.4707	0.021	4	109.4707	0.000	4	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(CH3){1|Cu<4>,4|C<3>}	H(CC[6]HH)	109.4838	0.042	10	109.4838	0.002	10	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Au<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4417	0.066	4	109.4659	0.002	23	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CC[6]HH)	109.4553	0.014	3	109.4659	0.002	23	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Ir<6>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4688	0.042	11	109.4659	0.002	23	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Re<6>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.5030	0.035	3	109.4659	0.002	23	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Rh<6>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4580	0.018	2	109.4659	0.002	23	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(CH3){1|Os<7>,3|C<3>}	H(CC[6]HH)	109.4960	0.024	3	109.4960	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[5,6]C)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	H(CC[6]HH)	109.4680	0.000	1	109.4680	0.000	1	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4592	0.051	6	109.4686	0.003	27	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4715	0.089	8	109.4686	0.003	27	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|In<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4711	0.039	13	109.4686	0.003	27	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Ir<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4913	0.023	3	109.4728	0.001	13	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Ir<7>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4650	0.015	5	109.4728	0.001	13	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Pd<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4694	0.033	5	109.4728	0.001	13	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	H(CC[6]HH)	109.4730	0.029	3	109.4730	0.001	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3){3|C<3>}	H(CC[6]HH)	109.4770	0.018	2	109.4770	0.000	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4673	0.055	3	109.4673	0.003	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4660	0.013	3	109.4845	0.001	8	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4956	0.027	5	109.4845	0.001	8	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CH3){1|Ni<5>,2|C<3>}	H(CC[6]HH)	109.4642	0.026	5	109.4642	0.001	5	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	H(CC[6]HH)	109.4530	0.013	2	109.4530	0.000	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4654	0.039	16	109.4654	0.002	16	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]C)2(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]C)2(CH3){1|P<3>,2|C<3>}	H(CC[6]HH)	109.5025	0.037	2	109.5025	0.001	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>}	H(CC[6]HH)	109.3883	1.587	14	109.6862	2.054	32	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	110.3809	1.760	9	109.6862	2.054	32	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4898	0.051	4	109.6862	2.054	32	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|Zn<5>,1|C<3>}	H(CC[6]HH)	109.4270	0.102	5	109.6862	2.054	32	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]Ir)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4647	0.046	3	109.4647	0.002	3	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CH3){2|C<3>,2|C<4>}	H(CC[6]HH)	109.4855	0.005	2	109.4855	0.000	2	109.6250	1.646	5988	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<3>}	H(CC[6]HH)	111.3823	2.698	3	111.3823	7.278	3	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5,6]O)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5,6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	112.9073	1.621	3	112.9073	2.628	3	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.5033	0.027	3	109.5033	0.001	3	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(CC[6]HH)	109.4690	0.024	3	109.4690	0.001	3	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(N[6]B[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(N[6]B[6]H)(CH3){1|N<3>,3|C<3>}	H(CC[6]HH)	109.4615	0.030	2	109.4615	0.001	2	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(CH3){3|C<3>}	H(CC[6]HH)	109.5213	0.027	3	109.5213	0.001	3	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(N[6]C[6]Ag)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(N[6]C[6]Ag)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4165	0.095	6	109.4165	0.009	6	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4157	1.361	3	109.4157	1.852	3	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4532	0.032	5	109.4458	0.001	8	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	H(CC[6]HH)	109.4333	0.015	3	109.4458	0.001	8	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4794	0.014	5	109.4782	0.001	31	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6]HH)	109.4798	0.023	12	109.4782	0.001	31	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|S<1>}	H(CC[6]HH)	109.4688	0.032	6	109.4782	0.001	31	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.5030	0.051	3	109.4782	0.001	31	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|H<1>}	H(CC[6]HH)	109.4696	0.042	5	109.4782	0.001	31	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4642	0.012	4	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]HH)	110.3526	2.401	16	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4611	0.030	13	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	H(CC[6]HH)	110.9887	0.364	3	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(CC[6]HH)	109.4247	0.017	3	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6]HH)	109.7205	0.732	85	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(CC[6]HH)	109.8331	2.219	114	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[6]HH)	109.4830	0.038	4	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|N<3>}	H(CC[6]HH)	109.4689	0.035	9	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.8031	1.772	34	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6]HH)	110.3275	1.285	6	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>}	H(CC[6]HH)	110.5620	2.442	6	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]HH)	109.4847	0.375	429	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4887	0.571	6	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4537	0.027	3	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CC[6]HH)	109.4575	0.057	2	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	H(CC[6]HH)	109.4603	0.025	6	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	H(CC[6]HH)	109.4764	0.036	16	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|S<1>,2|C<3>}	H(CC[6]HH)	109.4657	0.015	3	109.6151	1.223	762	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4705	0.038	6	109.4705	0.001	6	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3){1|C<4>,1|N<3>,2|F<1>}	H(CC[6]HH)	109.4778	0.040	5	109.4778	0.002	5	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4671	0.029	16	109.4611	0.001	25	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4503	0.035	9	109.4611	0.001	25	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4697	0.039	62	109.4695	0.019	268	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HH)	109.4748	0.038	32	109.4695	0.019	268	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4358	0.968	6	109.4695	0.019	268	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4640	0.027	5	109.4695	0.019	268	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4728	0.069	17	109.4695	0.019	268	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4642	0.048	46	109.4695	0.019	268	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4717	0.031	81	109.4695	0.019	268	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4682	0.023	6	109.4695	0.019	268	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|N<3>,2|C<3>}	H(CC[6]HH)	109.4923	0.016	3	109.4695	0.019	268	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|O<2>,2|C<3>}	H(CC[6]HH)	109.4797	0.047	7	109.4695	0.019	268	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>}	H(CC[6]HH)	109.4437	0.048	3	109.4695	0.019	268	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]D)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]D)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4565	0.006	2	109.4565	0.000	2	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4726	0.035	5	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4720	0.000	1	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4785	0.020	4	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	110.1143	1.359	212	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.5888	0.125	4	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4550	0.054	7	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4726	0.037	127	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	110.3543	3.846	6	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6]HH)	109.4913	0.027	3	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<1>}	H(CC[6]HH)	109.4903	0.021	4	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.8783	1.629	9	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|S<1>}	H(CC[6]HH)	106.3537	7.780	3	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4725	0.086	57	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	110.3973	2.261	88	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.5435	0.508	86	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<1>}	H(CC[6]HH)	108.9923	1.439	3	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	H(CC[6]HH)	109.4620	0.053	12	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	H(CC[6]HH)	109.7933	0.931	30	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>}	H(CC[6]HH)	109.5358	0.455	12	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]HH)	109.4640	0.024	2	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4640	0.037	4	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|N<2>}	H(CC[6]HH)	109.5087	0.653	42	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ce<12>,1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4613	0.063	3	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ce<13>,1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4583	0.062	3	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.7003	0.435	7	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.6754	0.572	26	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|N<3>}	H(CC[6]HH)	109.4557	0.008	3	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4977	0.033	3	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>}	H(CC[6]HH)	109.4681	0.024	14	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<2>,1|O<2>,1|S<2>}	H(CC[6]HH)	109.4700	0.042	2	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	H(CC[6]HH)	110.2841	1.092	15	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	H(CC[6]HH)	109.6872	0.873	14	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|O<1>,3|C<4>}	H(CC[6]HH)	109.4755	0.009	2	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Os<7>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4770	0.014	2	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Os<8>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4430	0.048	3	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Se<1>,1|N<3>,1|O<1>}	H(CC[6]HH)	109.4415	0.009	2	109.7844	1.578	820	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.6774	0.115	10	109.6219	0.021	13	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4370	0.026	3	109.6219	0.021	13	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.3898	0.599	14	109.4555	0.786	64	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.5300	1.917	5	109.4555	0.786	64	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4678	0.890	39	109.4555	0.786	64	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4667	0.021	6	109.4555	0.786	64	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]HH)	109.4557	0.018	3	109.4480	0.000	6	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]HH)	109.4403	0.013	3	109.4480	0.000	6	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]U)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]U)(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.4437	0.031	3	109.4437	0.001	3	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]V)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]V)(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.4515	0.013	2	109.4515	0.000	2	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]Y)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]Y)(CH3){1|C<3>,1|C<4>,1|C<5>}	H(CC[6]HH)	109.5220	0.035	4	109.5220	0.001	4	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CC[6]HH)	111.8913	1.200	6	111.0784	2.387	9	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3){1|O<2>,3|C<3>}	H(CC[6]HH)	109.4527	0.051	3	111.0784	2.387	9	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]HH)	110.2323	2.003	3	110.2323	4.013	3	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	111.1006	2.875	11	109.8421	2.192	49	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6]HH)	109.4732	0.045	32	109.8421	2.192	49	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<3>}	H(CC[6]HH)	109.5020	0.031	6	109.8421	2.192	49	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.8408	1.378	28	109.9183	2.382	51	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	110.0127	1.751	23	109.9183	2.382	51	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4885	0.013	2	109.4885	0.000	2	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(CC[6]HH)	109.4561	0.051	9	109.4561	0.003	9	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(N[6]S[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(N[6]S[6]C)(CH3){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	H(CC[6]HH)	109.4767	0.020	4	109.4767	0.000	4	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(N[6]S[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(N[6]S[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	H(CC[6]HH)	109.4740	0.029	3	109.4740	0.001	3	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]H)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4540	0.031	2	109.4540	0.001	2	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]B[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]B[6]H)(CH3){1|N<3>,2|C<3>}	H(CC[6]HH)	109.4822	0.025	5	109.4822	0.001	5	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>}	H(CC[6]HH)	109.5016	0.077	5	109.4851	0.002	14	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4690	0.016	3	109.4851	0.002	14	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4793	0.021	6	109.4851	0.002	14	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.2225	3.135	59	109.3045	9.899	89	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>}	H(CC[6]HH)	108.7778	5.312	11	109.3045	9.899	89	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.8642	0.725	19	109.3045	9.899	89	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	109.4755	0.033	53	109.4745	0.001	71	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>}	H(CC[6]HH)	109.4681	0.022	10	109.4745	0.001	71	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.4827	0.035	6	109.4745	0.001	71	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4575	0.032	2	109.4745	0.001	71	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4395	0.019	6	109.4395	0.000	6	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4487	0.023	3	109.4539	0.001	9	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4565	0.041	6	109.4539	0.001	9	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	109.4530	0.029	3	109.6706	3.631	34	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.7402	2.230	25	109.6706	3.631	34	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4895	0.039	6	109.6706	3.631	34	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]O[6]H)(N[6]C[6]S)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]O[6]H)(N[6]C[6]S)(CH3){1|C<4>,2|H<1>}	H(CC[6]HH)	109.4490	0.063	3	109.4490	0.004	3	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]S[6]H)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]S[6]H)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>}	H(CC[6]HH)	110.3290	2.913	3	110.3290	8.484	3	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]S[6]H)(N[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]S[6]H)(N[6]C[6]H)(CH3){2|C<3>,2|O<1>}	H(CC[6]HH)	109.4743	0.026	3	109.4743	0.001	3	109.6512	1.523	2414	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[4,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	H(CC[6]HH)	110.6397	0.400	3	109.8181	0.358	10	109.6457	0.201	20	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[4,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4350	0.025	2	109.8181	0.358	10	109.6457	0.201	20	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[4,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4784	0.022	5	109.8181	0.358	10	109.6457	0.201	20	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[4,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|N<3>}	H(CC[6]HH)	109.4777	0.032	3	109.4735	0.001	6	109.6457	0.201	20	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[4,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4693	0.023	3	109.4735	0.001	6	109.6457	0.201	20	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[4,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3){1|N<2>,2|N<3>,4|C<4>}	H(CC[6]HH)	109.4715	0.008	2	109.4732	0.000	4	109.6457	0.201	20	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[4,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3){1|N<3>,2|N<2>,4|C<4>}	H(CC[6]HH)	109.4750	0.021	2	109.4732	0.000	4	109.6457	0.201	20	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	H(CC[6]HH)	109.4520	0.023	3	109.4695	0.002	20	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|O<2>}	H(CC[6]HH)	109.4753	0.046	15	109.4695	0.002	20	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	H(CC[6]HH)	109.4515	0.032	2	109.4695	0.002	20	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[6]HH)	109.4717	0.035	3	109.4689	0.001	11	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[6]HH)	109.4480	0.007	2	109.4689	0.001	11	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(CC[6]HH)	109.4745	0.025	6	109.4689	0.001	11	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3){1|O<2>,3|C<3>,3|C<4>}	H(CC[6]HH)	109.4495	0.038	4	109.4495	0.001	4	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(CC[6]HH)	109.4783	0.035	3	109.4783	0.001	3	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]HH)	109.4903	0.030	3	109.4674	0.001	14	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	H(CC[6]HH)	109.4732	0.031	5	109.4674	0.001	14	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	H(CC[6]HH)	109.4512	0.028	6	109.4674	0.001	14	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CH3){2|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	H(CC[6]HH)	109.4680	0.041	2	109.4680	0.002	2	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]N[5])(C[6]C[3,6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]N[5])(C[6]C[3,6]H)(CH3){1|C<3>,1|C<4>,1|H<2>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.3143	7.873	3	109.3143	61.991	3	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4790	0.000	1	109.4790	0.000	1	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4370	2.793	41	109.4370	7.803	41	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]C)(CH3){1|H<1>,2|O<1>,4|C<3>}	H(CC[6]HH)	109.4670	0.000	1	109.4670	0.000	1	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4532	0.058	5	109.4532	0.003	5	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]H)(CH3){1|N<2>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.4957	0.046	3	109.4957	0.002	3	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Ga[3x5,6,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Ga[3x5,6,6]C[5])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,2|N<4>,2|O<2>}	H(CC[6]HH)	109.5120	0.085	2	109.5120	0.007	2	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[6]HH)	109.4750	0.036	5	109.4788	0.001	8	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|Li<6>,1|N<3>,2|C<4>,2|H<1>,2|O<3>}	H(CC[6]HH)	109.4850	0.033	3	109.4788	0.001	8	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]In[5,5,6,6]C[5,6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]In[5,5,6,6]C[5,6a])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	H(CC[6]HH)	109.5003	5.322	12	109.5003	28.321	12	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,1|O<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[6]HH)	109.4662	0.021	5	109.4642	0.001	16	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[6]HH)	109.4515	0.056	6	109.4642	0.001	16	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,3|O<2>}	H(CC[6]HH)	109.4776	0.026	5	109.4642	0.001	16	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,1|S<2>,3|C<3>,3|O<2>}	H(CC[6]HH)	109.4777	0.017	6	109.4777	0.000	6	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Si[5,6,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Si[5,6,6]C[5])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,2|N<2>,2|O<2>}	H(CC[6]HH)	109.4980	0.041	3	109.4980	0.002	3	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Si[5,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Si[5,6]C[5])(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(CC[6]HH)	109.4641	0.047	9	109.4641	0.002	9	109.4612	4.588	164	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[5,6]N[6])(H)3	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]N[6])(H)3	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(CH3){1|S<2>,4|C<3>}	H(CC[6]HH)	108.8920	0.949	3	108.8920	0.900	3	108.8920	0.900	3	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	H(CC[6]HH)	109.4835	0.030	2	109.4835	0.001	2	109.4707	0.001	29	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|N<2>}	H(CC[6]HH)	109.4576	0.021	5	109.4576	0.000	5	109.4707	0.001	29	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(CC[6]HH)	109.4690	0.031	2	109.4908	0.002	5	109.4707	0.001	29	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.5053	0.047	3	109.4908	0.002	5	109.4707	0.001	29	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4673	0.016	3	109.4673	0.000	3	109.4707	0.001	29	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4397	0.029	3	109.4733	0.002	8	109.4707	0.001	29	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	H(CC[6]HH)	109.4934	0.034	5	109.4733	0.002	8	109.4707	0.001	29	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3)	H(CC[6]HH)	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3){1|N<2>,4|C<3>}	H(CC[6]HH)	109.4653	0.056	3	109.4653	0.003	3	109.4707	0.001	29	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(CH3)	H(CC[6]HH)	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(CH3){1|N<2>,4|C<3>}	H(CC[6]HH)	109.4520	0.037	3	109.4520	0.001	3	109.4707	0.001	29	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]HH)	109.4765	0.015	2	109.4765	0.000	2	109.4723	0.001	31	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	H(CC[6]HH)	109.4800	0.019	3	109.4867	0.001	6	109.4723	0.001	31	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	H(CC[6]HH)	109.4933	0.029	3	109.4867	0.001	6	109.4723	0.001	31	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(CC[6]HH)	109.4863	0.033	3	109.4863	0.001	3	109.4723	0.001	31	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]C[6,6a]Nb[6,6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]C[6,6a]Nb[6,6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4720	0.030	6	109.4720	0.001	6	109.4723	0.001	31	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[6]HH)	109.4494	0.021	5	109.4494	0.000	5	109.4723	0.001	31	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[6,6]C[6])(H)3	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[6]HH)	109.4700	0.041	9	109.4700	0.002	9	109.4723	0.001	31	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]N[6,6a]C[6])(H)3	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[6,6a]C[6])(H)3	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[6]HH)	109.4627	0.062	3	109.4627	0.004	3	109.4712	3.685	6	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]N[6,6a]C[6])(H)3	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]N[6,6a]C[6])(H)3	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|C<4>}	H(CC[6]HH)	109.4797	3.035	3	109.4797	9.209	3	109.4712	3.685	6	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(CH3){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	H(CC[6]HH)	109.5070	0.051	2	109.5070	0.003	2	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CH3){1|Rh<8>,1|C<3>,2|H<1>,3|B<6>}	H(CC[6]HH)	109.4633	0.055	3	109.4633	0.003	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4970	0.049	3	109.4924	0.001	7	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	H(CC[6]HH)	109.4890	0.016	4	109.4924	0.001	7	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4863	0.028	3	109.4863	0.001	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(CC[6]HH)	109.4691	0.043	9	109.4691	0.002	9	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[3]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[3]C[6])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4601	0.051	7	109.4601	0.003	7	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6]HH)	109.4990	0.041	6	109.4838	0.002	10	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.4610	0.040	4	109.4838	0.002	10	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]C)(C[6]N[6]S)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]C)(C[6]N[6]S)(CH3){3|C<3>}	H(CC[6]HH)	109.4515	0.035	2	109.4515	0.001	2	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(CC[6]HH)	109.5217	0.057	3	109.4778	0.001	12	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]HH)	109.4643	0.023	3	109.4778	0.001	12	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	H(CC[6]HH)	109.4625	0.015	6	109.4778	0.001	12	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]H)(C[6]C[6]H)(CH3){1|O<1>,2|N<3>}	H(CC[6]HH)	109.4444	0.060	5	109.4444	0.004	5	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(CH3){1|O<1>,2|N<3>}	H(CC[6]HH)	109.4684	0.052	5	109.4684	0.003	5	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5]C[6])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<1>,2|H<1>}	H(CC[6]HH)	109.4553	0.022	3	109.4553	0.000	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4674	0.031	18	109.4667	0.003	21	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|S<2>,2|C<3>}	H(CC[6]HH)	109.4623	0.132	3	109.4667	0.003	21	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6]HH)	109.4600	0.014	3	109.4600	0.000	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4715	0.048	6	109.4648	0.002	9	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4513	0.041	3	109.4648	0.002	9	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]B)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]B)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4617	0.022	3	109.4617	0.000	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4711	0.059	11	109.4711	0.004	11	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4800	0.049	4	109.4800	0.002	4	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Co)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Co)(C[6]N[6]C)(CH3){2|C<3>}	H(CC[6]HH)	109.5183	0.058	3	109.5183	0.003	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Cu)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Cu)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6]HH)	109.4597	0.021	3	109.4597	0.000	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4903	0.029	3	109.9586	5.959	13	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	110.0991	2.802	10	109.9586	5.959	13	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Dy)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Dy)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.5003	0.064	7	109.5003	0.004	7	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]HH)	109.6357	1.266	46	109.6203	1.444	51	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4782	0.039	5	109.6203	1.444	51	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<5>,1|H<1>}	H(CC[6]HH)	109.4918	0.048	6	109.4918	0.002	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4597	0.043	3	109.4597	0.002	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Mn)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Mn)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6]HH)	109.4903	0.026	3	109.4903	0.001	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Ni)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Ni)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6]HH)	109.4600	0.032	4	109.4600	0.001	4	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Pt)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	112.4900	3.705	3	112.4900	13.729	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4720	0.021	4	109.4720	0.000	4	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Zn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Zn)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6]HH)	109.4310	0.052	3	109.4310	0.003	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	111.0498	2.648	6	109.9010	2.191	22	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CH3){3|C<3>}	H(CC[6]HH)	109.4702	0.066	16	109.9010	2.191	22	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4673	0.040	55	109.4673	0.002	55	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4657	0.045	3	109.4738	0.003	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	H(CC[6]HH)	109.4820	0.065	3	109.4738	0.003	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4397	0.063	3	109.4397	0.004	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4509	0.045	8	109.4509	0.002	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4689	0.042	56	109.4660	0.002	69	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3){3|C<3>}	H(CC[6]HH)	109.4535	0.029	13	109.4660	0.002	69	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.5384	0.493	393	109.5558	0.310	420	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){3|C<3>}	H(CC[6]HH)	109.8099	1.120	27	109.5558	0.310	420	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.6484	1.213	44	109.6484	1.472	44	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4710	0.008	2	110.2486	5.565	14	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4887	0.036	3	110.2486	5.565	14	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){3|C<3>}	H(CC[6]HH)	110.6747	2.910	9	110.2486	5.565	14	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6]HH)	109.4550	0.034	6	109.6253	0.844	126	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4500	0.057	2	109.6253	0.844	126	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.8010	0.834	16	109.6253	0.844	126	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.6244	1.006	94	109.6253	0.844	126	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>}	H(CC[6]HH)	109.4557	0.025	8	109.6253	0.844	126	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4590	0.111	3	109.4809	0.004	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){2|C<3>}	H(CC[6]HH)	109.4940	0.025	5	109.4809	0.004	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	109.6278	0.734	6	109.5702	0.345	9	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){2|C<3>}	H(CC[6]HH)	109.4550	0.050	3	109.5702	0.345	9	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4775	0.087	10	109.4778	0.005	18	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CH3){3|C<3>}	H(CC[6]HH)	109.4781	0.036	8	109.4778	0.005	18	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4758	0.054	4	109.4758	0.003	4	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Li)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Li)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	110.6299	1.048	15	110.6299	1.098	15	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4626	0.033	21	109.4626	0.001	21	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.7297	0.869	40	109.7297	0.755	40	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4954	0.083	68	109.4954	0.007	68	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(CH3){3|C<3>}	H(CC[6]HH)	109.4605	0.030	2	109.4605	0.001	2	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	110.1730	0.031	2	110.1730	0.001	2	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Pb)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Pb)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4606	0.040	11	109.4606	0.002	11	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4731	0.051	8	109.4571	0.002	38	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4529	0.038	30	109.4571	0.002	38	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4746	0.057	61	109.6281	0.475	73	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3){3|C<3>}	H(CC[6]HH)	110.4082	1.515	12	109.6281	0.475	73	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3){1|Cl<1>,2|C<3>}	H(CC[6]HH)	109.4792	0.062	9	109.3520	0.131	41	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.2415	0.468	22	109.3520	0.131	41	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3){3|C<3>}	H(CC[6]HH)	109.4806	0.044	10	109.3520	0.131	41	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6]HH)	109.4535	0.040	2	109.4998	0.005	12	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.5090	0.069	10	109.4998	0.005	12	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4789	0.069	43	109.4789	0.005	43	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4732	0.042	26	109.4732	0.002	26	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4753	0.038	68	109.4753	0.001	68	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<3>}	H(CC[6]HH)	109.5160	0.021	3	109.4710	0.002	16	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4606	0.039	13	109.4710	0.002	16	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4115	0.021	2	109.4602	0.002	21	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4647	0.055	3	109.4602	0.002	21	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4587	0.052	3	109.4602	0.002	21	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4670	0.036	13	109.4602	0.002	21	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4648	0.035	5	109.4754	0.002	29	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	H(CC[6]HH)	109.4453	0.072	3	109.4754	0.002	29	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<3>}	H(CC[6]HH)	109.4859	0.058	9	109.4754	0.002	29	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4796	0.030	12	109.4754	0.002	29	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|As<3>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4827	0.042	6	109.5457	0.080	137	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|As<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4558	0.042	5	109.5457	0.080	137	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.6274	0.391	66	109.5457	0.080	137	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4750	0.028	3	109.5457	0.080	137	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4729	0.031	9	109.5457	0.080	137	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4702	0.033	5	109.5457	0.080	137	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4689	0.051	38	109.5457	0.080	137	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4640	0.017	5	109.5457	0.080	137	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4830	0.019	3	109.4754	0.002	17	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4795	0.049	11	109.4754	0.002	17	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4527	0.024	3	109.4754	0.002	17	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4744	0.015	5	109.4697	0.252	11	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4658	0.709	6	109.4697	0.252	11	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	110.0220	3.495	116	109.6927	4.600	396	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4673	0.101	6	109.6927	4.600	396	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4801	0.035	9	109.6927	4.600	396	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6]HH)	109.4635	0.047	33	109.6927	4.600	396	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	108.6829	2.671	18	109.6927	4.600	396	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	110.9517	6.337	3	109.6927	4.600	396	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4540	0.016	2	109.6927	4.600	396	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6]HH)	109.4880	0.027	3	109.6927	4.600	396	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.5967	0.688	150	109.6927	4.600	396	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	H(CC[6]HH)	111.6984	2.545	5	109.6927	4.600	396	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|Si<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4805	0.043	4	109.6927	4.600	396	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){3|C<3>}	H(CC[6]HH)	109.5506	1.076	47	109.6927	4.600	396	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4645	0.043	2	109.4744	0.002	5	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	H(CC[6]HH)	109.4810	0.052	3	109.4744	0.002	5	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4777	0.046	137	109.4763	0.002	325	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4779	0.048	14	109.4763	0.002	325	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4749	0.041	9	109.4763	0.002	325	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4530	0.018	2	109.4763	0.002	325	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4843	0.044	6	109.4763	0.002	325	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4749	0.037	152	109.4763	0.002	325	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4808	0.013	5	109.4763	0.002	325	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4672	0.033	5	109.4804	0.001	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.5023	0.027	3	109.4804	0.001	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Gd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Gd)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<4>}	H(CC[6]HH)	109.4920	0.052	4	109.4920	0.003	4	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Hf)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Hf)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4750	0.031	3	109.4750	0.001	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4703	0.618	6	109.4750	0.273	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4890	0.010	2	109.4750	0.273	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4681	0.049	76	109.4726	0.002	98	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6]HH)	109.5002	0.053	5	109.4726	0.002	98	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4792	0.048	14	109.4726	0.002	98	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.5097	0.079	3	109.4726	0.002	98	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|Al<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4767	0.030	27	109.4745	0.001	48	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4487	0.019	3	109.4745	0.001	48	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<4>}	H(CC[6]HH)	109.4800	0.054	3	109.4745	0.001	48	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.5090	0.033	4	109.4745	0.001	48	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4770	0.024	5	109.4745	0.001	48	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.4497	0.033	6	109.4745	0.001	48	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4713	0.031	3	109.4713	0.001	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.6962	1.244	39	109.6258	1.043	58	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4423	0.031	3	109.6258	1.043	58	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	H(CC[6]HH)	109.4843	0.015	3	109.6258	1.043	58	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4824	0.047	7	109.6258	1.043	58	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>}	H(CC[6]HH)	109.5120	0.038	3	109.6258	1.043	58	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|N<3>,1|N<4>,1|O<2>}	H(CC[6]HH)	109.4837	0.051	3	109.6258	1.043	58	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	H(CC[6]HH)	109.9066	0.990	9	109.7202	0.644	23	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6]HH)	109.6776	0.840	9	109.7202	0.644	23	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4614	0.032	5	109.7202	0.644	23	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Nd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Nd)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4643	0.047	9	109.4643	0.002	9	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|As<3>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4603	0.027	4	109.6729	3.959	204	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.6903	2.184	122	109.6729	3.959	204	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4805	0.029	2	109.6729	3.959	204	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6]HH)	109.4707	0.024	6	109.6729	3.959	204	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	110.3506	5.472	8	109.6729	3.959	204	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	H(CC[6]HH)	109.4587	0.032	9	109.6729	3.959	204	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4965	0.009	2	109.6729	3.959	204	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.6175	0.493	51	109.6729	3.959	204	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Os)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Os)(C[6]C[6]C)(CH3){1|N<2>,2|C<3>}	H(CC[6]HH)	109.4465	0.066	2	109.4465	0.004	2	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<5>}	H(CC[6]HH)	109.5230	0.076	2	109.4730	0.004	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.4500	0.052	3	109.4730	0.004	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4627	0.058	3	109.4730	0.004	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.5074	0.205	121	109.4980	0.031	169	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4522	0.014	4	109.4980	0.031	169	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4686	0.051	13	109.4980	0.031	169	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6]HH)	109.4605	0.022	4	109.4980	0.031	169	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4827	0.016	4	109.4980	0.031	169	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4764	0.030	5	109.4980	0.031	169	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4850	0.045	4	109.4980	0.031	169	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|N<2>,2|C<4>}	H(CC[6]HH)	109.4829	0.049	14	109.4980	0.031	169	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pr)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pr)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	H(CC[6]HH)	109.4445	0.047	2	109.4445	0.002	2	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4571	0.031	14	109.4625	0.694	103	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4985	0.327	55	109.4625	0.694	103	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.3752	1.715	23	109.4625	0.694	103	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4717	0.049	11	109.4625	0.694	103	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.4703	0.032	3	109.4686	0.001	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4676	0.022	5	109.4686	0.001	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Re)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Re)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.8052	1.115	21	109.8052	1.244	21	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4760	0.008	2	109.4760	0.000	2	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4642	0.050	12	109.7093	0.130	33	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	110.1476	0.217	12	109.7093	0.130	33	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4612	0.029	6	109.7093	0.130	33	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	H(CC[6]HH)	109.4330	0.030	3	109.7093	0.130	33	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4655	0.045	14	109.4697	0.002	86	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4728	0.052	40	109.4697	0.002	86	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4283	0.034	3	109.4697	0.002	86	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<5>}	H(CC[6]HH)	109.4642	0.046	12	109.4697	0.002	86	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4397	0.030	3	109.4697	0.002	86	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.4862	0.043	11	109.4697	0.002	86	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|Ru<7>,1|N<3>,1|O<2>,1|S<2>}	H(CC[6]HH)	109.4813	0.019	3	109.4697	0.002	86	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3){2|Ru<5>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4683	0.044	6	109.4683	0.002	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4667	0.035	3	109.4725	0.001	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	H(CC[6]HH)	109.4783	0.024	3	109.4725	0.001	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4803	0.034	14	109.4818	0.001	16	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	H(CC[6]HH)	109.4925	0.028	2	109.4818	0.001	16	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4963	0.013	3	109.4792	0.001	11	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4727	0.023	8	109.4792	0.001	11	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4503	0.036	3	109.4503	0.001	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4782	0.037	6	109.5067	0.069	132	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4644	0.059	17	109.5067	0.069	132	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4885	0.042	8	109.5067	0.069	132	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CC[6]HH)	109.5170	0.298	101	109.5067	0.069	132	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.4823	0.055	3	109.4823	0.003	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,4|C<3>}	H(CC[6]HH)	109.4708	0.045	6	109.4708	0.002	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.8208	1.008	6	110.0732	2.312	32	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	H(CC[6]HH)	111.3293	0.922	6	110.0732	2.312	32	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	H(CC[6]HH)	109.4462	0.039	6	110.0732	2.312	32	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.1585	2.140	6	110.0732	2.312	32	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|N<3>,2|F<1>,3|C<3>}	H(CC[6]HH)	112.1983	1.827	3	110.0732	2.312	32	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4060	0.025	2	110.0732	2.312	32	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4683	0.032	3	110.0732	2.312	32	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,4|C<3>}	H(CC[6]HH)	110.5887	2.206	3	110.5887	4.866	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	H(CC[6]HH)	109.4703	0.035	3	109.5915	0.178	15	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CC[6]HH)	109.4763	0.051	6	109.5915	0.178	15	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4600	0.041	3	109.5915	0.178	15	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){2|H<1>,4|C<3>}	H(CC[6]HH)	110.0747	0.895	3	109.5915	0.178	15	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.4683	0.014	3	109.5011	0.046	66	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(CC[6]HH)	109.4923	0.038	3	109.5011	0.046	66	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<1>,2|C<3>}	H(CC[6]HH)	109.4460	0.012	3	109.5011	0.046	66	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6]HH)	109.8268	0.662	6	109.5011	0.046	66	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4707	0.040	49	109.5011	0.046	66	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|H<1>}	H(CC[6]HH)	109.4145	0.057	2	109.5011	0.046	66	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[6]HH)	109.4710	0.023	2	109.4710	0.001	2	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Al<4>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4728	0.041	4	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|As<3>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4743	0.007	3	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4669	0.065	8	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Bi<3>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4573	0.049	4	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4751	0.033	13	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|I<1>,1|N<3>,1|P<4>,2|C<3>}	H(CC[6]HH)	109.4654	0.038	5	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.4730	0.027	4	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,1|P<3>,2|C<3>}	H(CC[6]HH)	109.4990	0.043	4	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|W<6>,2|C<3>}	H(CC[6]HH)	109.8000	0.573	6	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	H(CC[6]HH)	109.4676	0.046	5	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	H(CC[6]HH)	109.4304	0.056	5	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4702	0.043	6	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.4677	0.042	4	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|P<2>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.4630	0.013	2	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4710	0.077	5	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	H(CC[6]HH)	109.4808	0.030	5	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Co<5>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.7058	1.474	6	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4460	0.038	6	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Rh<9>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4756	0.020	5	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Sb<3>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4716	0.007	5	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4977	0.029	3	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Sn<4>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4530	0.080	10	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	110.8959	1.645	11	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4802	0.039	6	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<3>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4594	0.052	9	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<4>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4558	0.025	5	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	H(CC[6]HH)	109.4712	0.038	17	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	H(CC[6]HH)	109.4670	0.034	6	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ni<5>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4506	0.032	5	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ni<7>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4849	0.057	16	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Rh<4>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4673	0.073	6	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Rh<9>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4304	0.048	5	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Te<2>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4560	0.011	3	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Zn<2>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4820	0.047	9	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4754	0.019	5	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Ni<5>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4465	0.040	4	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Te<2>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4855	0.219	6	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Te<3>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4880	0.015	4	109.5501	0.265	235	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ag<2>,1|C<4>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.4865	0.042	6	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4677	0.037	3	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<1>,2|C<3>}	H(CC[6]HH)	109.4500	0.025	12	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4968	0.044	5	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4701	0.048	11	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4664	0.041	49	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<1>,2|C<3>}	H(CC[6]HH)	109.4278	0.042	4	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,2|C<3>}	H(CC[6]HH)	109.4620	0.036	24	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	H(CC[6]HH)	109.4916	0.021	8	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4764	0.040	8	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.4721	0.036	29	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.4633	0.028	23	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|S<1>,2|C<3>}	H(CC[6]HH)	109.4890	0.021	6	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|W<6>,2|C<3>}	H(CC[6]HH)	109.4393	0.020	3	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4632	0.038	10	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4980	0.017	3	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Se<1>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4450	0.037	5	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Fe<5>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4875	0.051	6	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4576	0.075	5	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Mn<8>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4838	0.034	4	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<2>,2|N<3>,3|C<3>}	H(CC[6]HH)	109.4810	0.051	3	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|O<1>,4|C<3>}	H(CC[6]HH)	109.4435	0.025	4	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4507	0.011	6	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4667	0.025	4	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,3|C<3>}	H(CC[6]HH)	109.4940	0.012	3	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	H(CC[6]HH)	109.4691	0.039	12	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4697	0.051	15	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Te<2>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4744	0.037	5	109.4681	0.001	276	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Bi<3>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4554	0.032	5	109.4708	0.002	57	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Br<1>,1|In<4>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4730	0.006	2	109.4708	0.002	57	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4980	0.078	4	109.4708	0.002	57	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	H(CC[6]HH)	109.4712	0.038	11	109.4708	0.002	57	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|S<2>}	H(CC[6]HH)	109.4390	0.031	3	109.4708	0.002	57	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4700	0.033	9	109.4708	0.002	57	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Fe<8>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4744	0.071	17	109.4708	0.002	57	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|I<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4747	0.029	3	109.4708	0.002	57	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	H(CC[6]HH)	109.4673	0.008	3	109.4708	0.002	57	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	H(CC[6]HH)	109.4500	0.025	3	109.4500	0.001	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.4695	0.011	2	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|N<2>}	H(CC[6]HH)	109.4603	0.020	7	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<2>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.4663	0.023	15	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.4620	0.028	6	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	H(CC[6]HH)	109.4733	0.015	4	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<3>}	H(CC[6]HH)	109.4797	0.028	6	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|C<2>}	H(CC[6]HH)	109.4790	0.074	5	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.4650	0.040	4	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.4777	0.041	14	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<2>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.4267	0.042	3	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.4732	0.051	6	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	H(CC[6]HH)	109.4890	0.035	11	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	H(CC[6]HH)	109.4720	0.034	7	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|Li<5>,1|C<2>,2|C<3>,2|C<4>,2|N<3>}	H(CC[6]HH)	109.4508	0.070	5	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	H(CC[6]HH)	109.4730	0.032	10	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4615	0.030	4	109.4704	0.001	109	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4682	0.060	5	109.4682	0.004	5	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]P[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]P[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4650	0.023	2	109.4650	0.001	2	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]S[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]S[6])(C[6]C[6]H)(CH3){1|C<4>,2|O<1>,3|C<3>}	H(CC[6]HH)	109.4705	0.008	2	109.4705	0.000	2	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.4505	0.011	2	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<1>,2|N<3>,3|C<3>}	H(CC[6]HH)	109.4630	0.030	6	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<2>,1|Li<5>,1|N<3>,1|N<4>,3|C<3>}	H(CC[6]HH)	109.4573	0.040	3	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.5240	0.004	2	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,1|P<3>,3|C<3>}	H(CC[6]HH)	109.4770	0.014	3	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.5127	0.015	3	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|F<1>,1|N<3>,4|C<3>}	H(CC[6]HH)	109.4610	0.024	3	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(CC[6]HH)	109.4729	0.032	8	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,4|C<3>}	H(CC[6]HH)	109.4629	0.030	8	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,2|N<3>,3|C<3>}	H(CC[6]HH)	109.4660	0.034	5	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|N<3>,2|P<3>,3|C<3>}	H(CC[6]HH)	109.4913	0.017	3	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|N<3>,3|C<3>}	H(CC[6]HH)	109.4787	0.039	3	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4910	0.036	7	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4674	0.026	5	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,1|S<2>,2|C<3>}	H(CC[6]HH)	109.4557	0.048	4	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4634	0.093	5	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|O<1>,2|N<3>,3|C<3>}	H(CC[6]HH)	109.4847	0.051	3	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	H(CC[6]HH)	109.4760	0.010	2	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|P<3>,2|N<3>,3|C<3>}	H(CC[6]HH)	109.4370	0.086	3	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4747	0.023	6	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4638	0.037	4	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Si<4>,1|N<3>,1|O<2>,3|C<3>}	H(CC[6]HH)	109.4543	0.029	3	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Br<1>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.4816	0.052	11	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|N<3>,3|C<3>}	H(CC[6]HH)	109.4647	0.025	3	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|N<3>,4|C<3>}	H(CC[6]HH)	109.4570	0.015	4	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){3|C<3>,3|N<3>}	H(CC[6]HH)	109.4740	0.000	1	109.4715	0.002	110	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Ga<5>,1|C<4>,1|N<3>,2|C<3>,2|O<2>}	H(CC[6]HH)	109.4570	0.026	4	109.4570	0.001	4	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[3x6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[3x6]C)(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|O<2>}	H(CC[6]HH)	109.4843	0.033	6	109.4843	0.001	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	H(CC[6]HH)	109.4731	0.074	15	109.4731	0.005	15	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|S<2>}	H(CC[6]HH)	109.4906	0.031	5	109.4873	0.001	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){2|As<2>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4710	0.000	1	109.4873	0.001	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	H(CC[6]HH)	109.4704	0.033	19	109.4704	0.001	19	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,1|P<4>,2|C<3>}	H(CC[6]HH)	109.4763	0.050	10	109.4767	0.002	21	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	H(CC[6]HH)	109.4800	0.031	5	109.4767	0.002	21	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|N<3>}	H(CC[6]HH)	109.4747	0.044	6	109.4767	0.002	21	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|O<2>}	H(CC[6]HH)	109.4694	0.020	7	109.4694	0.000	7	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<3>}	H(CC[6]HH)	109.4640	0.017	3	109.4682	0.001	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|O<2>}	H(CC[6]HH)	109.4723	0.035	3	109.4682	0.001	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<2>}	H(CC[6]HH)	109.4743	0.047	6	109.4743	0.002	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cl<1>,1|Cu<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4817	0.349	6	109.4726	0.089	28	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cu<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4595	0.429	6	109.4726	0.089	28	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cu<3>,1|N<3>,2|C<4>}	H(CC[6]HH)	109.4741	0.241	16	109.4726	0.089	28	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]In[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]In[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|S<2>}	H(CC[6]HH)	109.4658	0.047	6	109.4658	0.002	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]N[5a,6]Ir)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]N[5a,6]Ir)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4697	0.072	3	109.4697	0.005	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,3,6,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,3,6,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|O<2>}	H(CC[6]HH)	109.4705	0.025	8	109.4705	0.001	8	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	H(CC[6]HH)	109.4618	0.074	16	109.4666	0.004	23	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	H(CC[6]HH)	109.4710	0.000	1	109.4666	0.004	23	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	H(CC[6]HH)	109.4785	0.030	6	109.4666	0.004	23	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.4676	0.040	5	109.4683	0.002	40	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,1|N<3>,4|C<3>}	H(CC[6]HH)	109.4699	0.040	11	109.4683	0.002	40	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,2|N<3>,3|C<3>}	H(CC[6]HH)	109.4521	0.062	9	109.4683	0.002	40	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|C<3>,3|F<1>}	H(CC[6]HH)	109.4798	0.039	9	109.4683	0.002	40	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	H(CC[6]HH)	109.4728	0.028	6	109.4683	0.002	40	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3x3,5,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[3x3,5,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,5|C<4>}	H(CC[6]HH)	109.4377	0.045	3	109.4377	0.002	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	H(CC[6]HH)	109.4575	0.008	2	109.4348	0.001	5	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,2|N<2>}	H(CC[6]HH)	109.4197	0.036	3	109.4348	0.001	5	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>,6|C<4>}	H(CC[6]HH)	109.4802	0.046	10	109.4777	0.002	18	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,6|C<4>}	H(CC[6]HH)	109.4745	0.045	8	109.4777	0.002	18	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[6,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[6,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4975	0.045	6	109.4975	0.002	6	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Nb[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>}	H(CC[6]HH)	109.5217	0.076	3	109.5217	0.006	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|O<2>,4|C<3>}	H(CC[6]HH)	109.4320	0.060	3	109.4320	0.004	3	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	H(CC[6]HH)	109.4640	0.021	6	109.6793	0.511	20	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|C<3>}	H(CC[6]HH)	110.8277	1.587	3	109.6793	0.511	20	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	H(CC[6]HH)	109.4743	0.009	3	109.6793	0.511	20	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	H(CC[6]HH)	109.4780	0.024	5	109.6793	0.511	20	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){2|N<3>,4|C<3>}	H(CC[6]HH)	109.5023	0.018	3	109.6793	0.511	20	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,2|O<2>}	H(CC[6]HH)	109.4639	0.018	7	109.4639	0.000	7	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>,2|O<2>}	H(CC[6]HH)	109.4722	0.026	6	109.4797	0.001	9	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	H(CC[6]HH)	109.4947	0.015	3	109.4797	0.001	9	109.5499	0.799	4717	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]B[5a,6]H)(N[6]C[6,6a]H)(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]B[5a,6]H)(N[6]C[6,6a]H)(CH3){2|C<3>,2|O<2>}	H(CC[6]HH)	109.4853	0.024	3	109.4853	0.001	3	109.7515	0.899	24	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CH3){2|C<3>,2|O<2>}	H(CC[6]HH)	109.4337	0.012	3	109.4337	0.000	3	109.7515	0.899	24	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6,6a]H)(N[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6,6a]H)(N[6]C[6]N)(CH3){1|O<1>,2|C<3>}	H(CC[6]HH)	109.4637	0.017	3	109.4637	0.000	3	109.7515	0.899	24	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	111.6923	1.967	3	110.2233	2.182	9	109.7515	0.899	24	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)2(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)2(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4888	0.034	6	110.2233	2.182	9	109.7515	0.899	24	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]Pd)(N[6]C[6]Zn)(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]C[6]Pd)(N[6]C[6]Zn)(CH3){1|C<3>,2|N<3>}	H(CC[6]HH)	109.5120	0.030	3	109.5120	0.001	3	109.7515	0.899	24	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(H)3	C[6](N[6]Ga[6,6]C[6a])(N[6]Ga[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	C[6](N[6]Ga[6,6]C[6a])(N[6]Ga[6,6]H)(CH3){2|C<3>,2|C<4>,3|N<3>}	H(CC[6]HH)	109.4477	0.022	3	109.4477	0.000	3	109.7515	0.899	24	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[5,6,6]Li)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](O[6]Ga[5,6,6]Li)(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<3>,2|N<3>}	H(CC[6]HH)	109.4710	0.042	6	109.4710	0.002	6	109.4710	0.002	6	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	P[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]P[6])(H)3	C[6](P[6]C[6]Mn)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]P[6])(H)3	C[6](P[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4578	0.049	5	109.4578	0.002	5	109.4641	0.001	8	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	P[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]P[6])(H)3	C[6](P[6]C[6a]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]P[6])(H)3	C[6](P[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CC[6]HH)	109.4747	0.013	3	109.4747	0.000	3	109.4641	0.001	8	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:O-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)2(O)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(H)2(O)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO){2|C<4>,3|O<2>}	H(CC[6]HO)	112.4995	1.266	4	112.4995	1.603	4	112.4995	1.603	4	109.6010	1.291	14351	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(Cl)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(CClHH)	H(CC[6]ClH)	C(C[6]C[5,6]C[6])(Cl)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(CClHH){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	H(CC[6]ClH)	109.8675	0.023	2	109.8675	0.001	2	109.8675	0.001	2	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[4,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[4,6]C[6])(H)3	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[4,6]C[6])(H)3	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(CC[6]HH)	109.4537	0.015	3	109.4537	0.000	3	109.4537	0.000	3	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C-4:	C-4:	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]2H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]2H)(CH3){2|C<3>,3|H<1>,6|C<4>}	H(CC[6]HH)	109.4789	0.048	11	109.4789	0.002	11	109.4789	0.002	11	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6,6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6,6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]3)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6,6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]3)(CH3){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(CC[6]HH)	109.4920	0.331	3	109.4920	0.110	3	109.4920	0.110	3	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[3,5]C[5,6])(C[6]N[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[3,5]C[5,6])(C[6]N[6]HH)(CH3){1|C<3>,1|H<1>,1|S<4>,4|C<4>}	H(CC[6]HH)	109.4837	0.062	3	109.4837	0.004	3	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[3x5,6]C[5])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[3x5,6]C[5])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4745	0.005	2	109.4745	0.000	2	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2)(C[6]C[5,6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2)(C[6]C[5,6]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(CC[6]HH)	109.4718	0.035	4	109.4718	0.001	4	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]CH)(CH3){1|N<3>,2|H<1>,5|C<4>}	H(CC[6]HH)	109.4832	0.043	5	109.4832	0.002	5	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O[6]H)(CH3){2|H<1>,3|C<3>,4|C<4>}	H(CC[6]HH)	109.4616	0.036	5	109.4616	0.001	5	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4617	0.195	3	109.4617	0.038	3	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6]HH)	109.4675	0.042	18	109.4675	0.002	18	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CC)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CC)(CH3){1|C<4>,1|O<1>,3|O<2>}	H(CC[6]HH)	110.7103	8.665	3	110.7103	75.074	3	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4830	0.019	3	109.4812	0.000	6	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]HH)	109.4793	0.024	3	109.4812	0.000	6	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){2|C<4>,4|C<3>}	H(CC[6]HH)	109.4533	0.017	3	109.4533	0.000	3	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CC[6]HH)	109.4616	0.027	5	109.4616	0.001	5	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3){1|H<1>,1|S<4>,5|C<3>}	H(CC[6]HH)	109.4530	0.014	2	109.4530	0.000	2	109.5323	2.667	59	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6,6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6,6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	H(CC[6]HH)	109.4745	0.006	2	109.4745	0.000	2	109.4756	0.000	5	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6,6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6,6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3){1|O<1>,2|H<1>,6|C<4>}	H(CC[6]HH)	109.4763	0.027	3	109.4763	0.001	3	109.4756	0.000	5	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6,6]-4:C-4:	C-4:	C(C[6]C[6,6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(CC[6]HH)	111.7620	2.151	5	111.3800	4.577	6	111.3800	4.577	6	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6,6]-4:C-4:	C-4:	C(C[6]C[6,6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(CC[6]HH)	109.4700	0.000	1	111.3800	4.577	6	111.3800	4.577	6	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(CC[6]HH)	109.4774	0.054	14	109.4774	0.003	14	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3){1|N<3>,2|H<1>,3|C<4>}	H(CC[6]HH)	109.4687	0.008	3	109.4687	0.000	3	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>,3|C<4>}	H(CC[6]HH)	109.4558	0.077	5	109.4558	0.006	5	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(CC[6]HH)	109.4833	0.027	3	109.4833	0.001	3	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	H(CC[6]HH)	109.4675	0.010	4	109.4675	0.000	4	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3){4|C<4>,4|H<1>}	H(CC[6]HH)	109.5130	0.068	2	109.5130	0.005	2	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(CC[6]HH)	109.4410	0.034	3	109.4505	0.001	11	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	H(CC[6]HH)	109.4390	0.036	3	109.4505	0.001	11	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){4|C<4>,4|H<1>}	H(CC[6]HH)	109.4632	0.028	5	109.4505	0.001	11	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(CC[6]HH)	109.4603	0.023	3	109.4659	0.000	7	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){4|C<4>,4|H<1>}	H(CC[6]HH)	109.4700	0.010	4	109.4659	0.000	7	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){1|H<1>,5|C<4>}	H(CC[6]HH)	109.4593	0.038	3	109.4678	0.001	5	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){2|C<4>,3|C<3>}	H(CC[6]HH)	109.4805	0.005	2	109.4678	0.001	5	109.4680	0.002	54	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>}	H(CC[6]HH)	109.4323	0.036	3	109.4323	0.001	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[4,6]H)(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[4,6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]HH)	110.5432	2.299	6	110.5432	5.284	6	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]HH)	109.5060	0.025	3	109.5060	0.001	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HH)(CH3){2|O<2>,3|C<4>}	H(CC[6]HH)	109.4540	0.055	2	109.4540	0.003	2	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6]HH)	109.4847	0.015	3	109.4847	0.000	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]HH)	109.4773	0.038	6	109.4773	0.001	6	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4647	0.032	3	109.4647	0.001	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4533	0.031	3	109.4533	0.001	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4477	0.015	3	109.4567	0.000	6	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	H(CC[6]HH)	109.4657	0.010	3	109.4567	0.000	6	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(CH3){2|O<2>,3|C<4>}	H(CC[6]HH)	109.4763	0.029	3	109.4763	0.001	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]HH)	109.4580	0.064	2	109.4461	0.002	20	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	H(CC[6]HH)	109.4448	0.050	18	109.4461	0.002	20	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4640	0.065	3	109.4640	0.004	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.5163	0.020	3	109.5163	0.000	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[6]HH)	109.4520	0.034	3	109.4623	0.001	6	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CC[6]HH)	109.4727	0.008	3	109.4623	0.001	6	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]FF)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]FF)(CH3){1|N<2>,1|N<3>,2|C<3>,2|F<1>}	H(CC[6]HH)	109.4882	0.027	4	109.4882	0.001	4	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<6>,1|N<2>,2|H<1>,3|C<3>,4|B<6>}	H(CC[6]HH)	109.4653	0.042	3	109.4653	0.002	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4707	0.014	3	109.4669	0.004	14	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4659	0.074	11	109.4669	0.004	14	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.4673	0.039	3	109.4673	0.001	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]P[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]P[6]HH)(CH3){1|C<4>,3|C<3>}	H(CC[6]HH)	109.4913	0.019	3	109.4913	0.000	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6]HH)	109.4673	0.029	6	109.4576	0.001	18	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	H(CC[6]HH)	109.4647	0.018	3	109.4576	0.001	18	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4438	0.044	6	109.4576	0.001	18	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.4583	0.026	3	109.4576	0.001	18	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4912	0.031	6	109.6341	0.315	51	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	110.3692	1.106	9	109.6341	0.315	51	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4624	0.025	7	109.6341	0.315	51	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(CC[6]HH)	109.4900	0.011	2	109.6341	0.315	51	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]HH)	109.4668	0.035	13	109.6341	0.315	51	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4703	0.021	3	109.6341	0.315	51	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4886	0.029	11	109.6341	0.315	51	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]HH)	109.5366	0.069	5	109.4961	0.003	12	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]HH)	109.4755	0.006	2	109.4961	0.003	12	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4607	0.023	3	109.4961	0.003	12	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4685	0.005	2	109.4961	0.003	12	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[6]HH)	109.4849	0.025	7	109.4849	0.001	7	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]HH)(CH3){1|S<4>,2|C<3>}	H(CC[6]HH)	109.4860	0.042	2	109.4860	0.002	2	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CH3){1|S<4>,4|C<3>}	H(CC[6]HH)	109.4510	0.053	3	109.4510	0.003	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3){1|H<1>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4805	0.029	4	109.4840	0.001	8	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>}	H(CC[6]HH)	109.4875	0.046	4	109.4840	0.001	8	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CH3){3|C<3>}	H(CC[6]HH)	109.4760	0.000	1	109.4760	0.000	1	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(CC[6]HH)	109.4645	0.018	2	109.4645	0.000	2	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3){1|O<1>,1|O<2>,4|C<3>}	H(CC[6]HH)	109.4573	0.050	3	109.4573	0.002	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(CC[6]HH)	109.4613	0.022	6	109.4637	0.001	9	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(CC[6]HH)	109.4683	0.034	3	109.4637	0.001	9	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CC[6]HH)	109.4720	0.006	2	109.4720	0.000	2	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3){1|C<3>,1|C<4>}	H(CC[6]HH)	108.7603	2.153	11	108.7603	4.635	11	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]Nb[4x6]C)(C[6]C[6]CH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]Nb[4x6]C)(C[6]C[6]CH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|N<3>}	H(CC[6]HH)	109.5163	0.059	3	109.5163	0.004	3	109.5002	0.449	229	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-4:C-4:	C-4:	C(C[6]C[6]S[6])(H)3	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(CH3)	H(CC[6]HH)	C(C[6]C[6]S[6])(H)3	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(CH3){2|H<1>,3|C<3>}	H(CC[6]HH)	109.4693	0.030	4	109.4693	0.001	4	109.4693	0.001	4	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3){1|Cl<1>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	H(CC[6]HH)	109.4568	0.026	5	109.4648	0.001	9	110.2242	3.220	16	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3){1|N<3>,2|H<1>,2|O<2>,4|C<4>}	H(CC[6]HH)	109.4748	0.039	4	109.4648	0.001	9	110.2242	3.220	16	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|O<2>,3|C<4>}	H(CC[6]HH)	111.2006	2.464	7	111.2006	6.072	7	110.2242	3.220	16	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4552	0.059	11	109.4552	0.003	11	109.4553	0.003	12	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	3:4:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(CH3){1|H<1>,2|O<2>,5|C<4>}	H(CC[6]HH)	109.4570	0.000	1	109.4570	0.000	1	109.4553	0.003	12	109.5561	0.887	404	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:N[6]-2:C-4:	C-4:	C(C[6]C[5,6]N[6])(H)3	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]N[6])(H)3	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(CH3){3|C<4>,4|C<3>}	H(CC[6]HH)	109.4690	0.016	3	109.4690	0.000	3	109.4696	2.501	9	109.5446	2.655	37	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:N[6]-2:C-4:	C-4:	C(C[6]C[5,6]N[6])(H)3	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]N[6])(H)3	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3){1|C<4>,4|C<3>}	H(CC[6]HH)	109.4698	2.000	6	109.4698	4.002	6	109.4696	2.501	9	109.5446	2.655	37	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5,6]HH)(N[6]C[5,6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5,6]HH)(N[6]C[5,6])(CH3){1|N<3>,2|C<4>,2|O<2>}	H(CC[6]HH)	109.4563	0.032	3	109.4563	0.001	3	109.4611	0.001	25	109.5446	2.655	37	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]CC)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]CC)(N[6]N[6])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4470	0.026	3	109.4470	0.001	3	109.4611	0.001	25	109.5446	2.655	37	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]CH)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]CH)(N[6]N[6])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4720	0.039	3	109.4720	0.002	3	109.4611	0.001	25	109.5446	2.655	37	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(N[6]N[6])(CH3){2|C<3>,2|H<1>}	H(CC[6]HH)	109.4703	0.026	3	109.4703	0.001	3	109.4611	0.001	25	109.5446	2.655	37	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]HH)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]HH)(N[6]N[6])(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4566	0.029	5	109.4566	0.001	5	109.4611	0.001	25	109.5446	2.655	37	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]S[6]HH)(N[6]N[5,6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]S[6]HH)(N[6]N[5,6])(CH3){2|C<3>}	H(CC[6]HH)	109.4666	0.068	5	109.4666	0.005	5	109.4611	0.001	25	109.5446	2.655	37	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]Si[6,6]HH)(N[6]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]Si[6,6]HH)(N[6]N[6])(CH3){1|C<4>,1|H<1>,2|N<3>}	H(CC[6]HH)	109.4583	0.036	3	109.4583	0.001	3	109.4611	0.001	25	109.5446	2.655	37	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6]HH)	110.4653	6.032	3	110.4653	36.388	3	110.4653	36.388	3	109.5446	2.655	37	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH)	H(CC[6]BrH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	H(CC[6]BrH)	109.2318	0.107	4	109.2318	0.012	4	109.2694	0.011	7	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:Br-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH)	H(CC[6]BrH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	H(CC[6]BrH)	109.3197	0.100	3	109.3197	0.010	3	109.2694	0.011	7	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CClHH)	H(CC[6]ClH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CClHH){1|N<3>,2|C<4>,2|H<1>}	H(CC[6]ClH)	109.5835	1.122	4	109.5835	1.258	4	109.4521	0.657	7	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CClHH)	H(CC[6]ClH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CClHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(CC[6]ClH)	109.2250	0.000	1	109.2250	0.000	1	109.4521	0.657	7	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(CClHH)	H(CC[6]ClH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(CClHH){1|C<4>,1|S<4>,2|H<1>}	H(CC[6]ClH)	109.3030	0.021	2	109.3030	0.000	2	109.4521	0.657	7	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[3,5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[3,5,6]C[6])(H)3	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[3,5,6]C[6])(H)3	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3){3|C<4>,6|H<1>}	H(CC[6]HH)	109.4675	0.005	2	109.4675	0.000	2	109.4648	0.000	4	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[3,5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[3,5,6]C[6])(H)3	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[3,5,6]C[6])(H)3	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	H(CC[6]HH)	109.4620	0.034	2	109.4620	0.001	2	109.4648	0.000	4	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[3,6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[3,6,6]C[6])(H)3	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[3,6,6]C[6])(H)3	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[6]HH)	109.4490	0.063	9	109.4490	0.004	9	109.4490	0.004	9	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[3,6]C[6])(H)3	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[3,6]C[6])(H)3	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>}	H(CC[6]HH)	109.4805	0.006	2	109.4805	0.000	2	109.4690	0.001	5	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[3,6]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[3,6]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(CC[6]HH)	109.4613	0.042	3	109.4613	0.002	3	109.4690	0.001	5	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[3x6]C[6])(H)3	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[3x6]C[6])(H)3	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(CC[6]HH)	109.4780	0.008	3	109.4780	0.000	3	109.6887	0.397	18	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[3x6]C[6])(H)3	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[3x6]C[6])(H)3	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4701	0.032	9	109.4701	0.001	9	109.6887	0.397	18	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[3x6]C[6])(H)3	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[3x6]C[6])(H)3	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,5|C<4>}	H(CC[6]HH)	109.4557	0.036	3	109.4557	0.001	3	109.6887	0.397	18	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[3x6]C[6])(H)3	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[3x6]C[6])(H)3	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(CC[6]HH)	110.7880	1.092	3	110.7880	1.193	3	109.6887	0.397	18	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[4,6]C[6])(H)3	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[4,6]C[6])(H)3	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[6]HH)	109.4456	0.019	5	109.4456	0.000	5	109.4412	0.001	8	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[4,6]C[6])(H)3	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[4,6]C[6])(H)3	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[6]HH)	109.4340	0.049	3	109.4340	0.002	3	109.4412	0.001	8	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[4,6]-4:N[6]-3:C-4:	C-4:	C(C[6]C[4,6]N[6])(H)3	C[6](C[4,6]C[4,6]2H)(N[6]B[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[4,6]N[6])(H)3	C[6](C[4,6]C[4,6]2H)(N[6]B[6]C)(CH3){1|C<4>,2|C<3>,2|F<1>,2|O<2>}	H(CC[6]HH)	110.0661	0.906	9	110.0661	0.821	9	110.0661	0.821	9	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,5,6]C[6])(H)3	C[6](C[5,5,6]C[5,6,6]C[5,5]O[5])(C[6]C[5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,5,6]C[6])(H)3	C[6](C[5,5,6]C[5,6,6]C[5,5]O[5])(C[6]C[5,6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(CC[6]HH)	109.4795	0.070	2	109.4795	0.005	2	109.4795	0.005	2	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6,6]C[5,6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[5])(CH3)	H(CC[6]HH)	C(C[6]C[5,6,6]C[5,6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[5])(CH3){2|O<2>,5|H<1>,7|C<4>}	H(CC[6]HH)	109.4380	0.015	3	109.4380	0.000	3	109.4520	0.000	9	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6,6]C[5,6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[5])(CH3)	H(CC[6]HH)	C(C[6]C[5,6,6]C[5,6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[5])(CH3){1|C<4>,6|C<3>,7|H<1>}	H(CC[6]HH)	109.4590	0.018	6	109.4590	0.000	6	109.4520	0.000	9	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(CC[6]HH)	109.4730	0.000	1	109.4730	0.000	1	109.4696	0.001	7	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3){2|H<1>,2|O<2>,4|C<3>}	H(CC[6]HH)	109.4727	0.042	3	109.4727	0.002	3	109.4696	0.001	7	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(CC[6]HH)	109.4653	0.026	3	109.4653	0.001	3	109.4696	0.001	7	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3){1|C<3>,1|O<1>,6|C<4>}	H(CC[6]HH)	109.4613	0.021	3	109.4613	0.000	3	109.4812	0.001	17	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[5,6]C[5])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[5,6]C[5])(CH3){1|C<3>,3|H<1>,4|C<4>}	H(CC[6]HH)	109.4787	0.030	3	109.4787	0.001	3	109.4812	0.001	17	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3){1|C<3>,3|H<1>,4|C<4>}	H(CC[6]HH)	109.4793	0.033	6	109.4873	0.002	11	109.4812	0.001	17	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3){1|H<1>,3|C<3>,4|C<4>}	H(CC[6]HH)	109.4817	0.062	3	109.4873	0.002	11	109.4812	0.001	17	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3){2|C<3>,5|C<4>}	H(CC[6]HH)	109.5195	0.011	2	109.4873	0.002	11	109.4812	0.001	17	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(CC[6]HH)	109.4755	0.018	2	109.4755	0.000	2	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(CC[6]HH)	109.4640	0.020	3	109.4640	0.000	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|O<2>}	H(CC[6]HH)	109.4700	0.049	3	109.4700	0.002	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4510	0.047	2	109.4510	0.002	2	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(CC[6]HH)	109.4690	0.024	3	109.4690	0.001	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(CH3){1|C<3>,2|H<1>,5|C<4>}	H(CC[6]HH)	109.4720	0.006	3	109.4720	0.000	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4300	0.025	3	109.4481	0.001	9	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	H(CC[6]HH)	109.4572	0.017	6	109.4481	0.001	9	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(CH3){2|C<3>,2|H<1>,4|C<4>}	H(CC[6]HH)	109.4703	0.011	3	109.4703	0.000	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,6|C<4>}	H(CC[6]HH)	109.4450	0.037	3	110.3415	2.905	11	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[6]HH)	112.7193	1.692	3	110.3415	2.905	11	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,5|C<4>}	H(CC[6]HH)	109.4477	0.036	3	110.3415	2.905	11	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(CC[6]HH)	109.4600	0.035	2	110.3415	2.905	11	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]C)(CH3){2|C<3>,3|C<4>}	H(CC[6]HH)	109.4737	0.047	10	109.4737	0.002	10	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[6]HH)	109.4793	0.013	3	109.4793	0.000	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[6]HH)	109.4522	0.030	6	109.4685	0.001	15	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	H(CC[6]HH)	109.4794	0.028	9	109.4685	0.001	15	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4810	0.012	4	109.4810	0.000	4	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6]HH)	109.4666	0.033	5	109.4666	0.001	5	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6]HH)	109.4683	0.043	12	109.4665	0.002	59	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4660	0.050	47	109.4665	0.002	59	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[5,6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6]HH)	109.4647	0.034	6	109.4647	0.001	6	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6]HH)	109.4757	0.052	15	109.4742	0.002	18	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4667	0.030	3	109.4742	0.002	18	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(CH3){1|H<1>,2|C<4>,4|C<3>}	H(CC[6]HH)	109.4622	0.025	5	109.4702	0.001	8	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CC[6]HH)	109.4837	0.023	3	109.4702	0.001	8	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(CC[6]HH)	109.4952	0.019	8	109.4952	0.000	8	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	H(CC[6]HH)	109.4605	0.013	2	109.4626	0.002	7	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6]HH)	109.4430	0.041	2	109.4626	0.002	7	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(CC[6]HH)	109.4770	0.074	3	109.4626	0.002	7	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]HH)	111.0983	0.620	3	109.7971	0.640	47	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(CC[6]HH)	109.4645	0.026	2	109.7971	0.640	47	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(CC[6]HH)	110.2940	0.960	6	109.7971	0.640	47	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[6]HH)	109.4580	0.010	2	109.7971	0.640	47	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	H(CC[6]HH)	110.6977	2.157	3	109.7971	0.640	47	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(CC[6]HH)	109.5515	0.423	18	109.7971	0.640	47	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){3|C<4>,5|H<1>}	H(CC[6]HH)	109.5032	0.068	13	109.7971	0.640	47	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3){2|O<1>,4|C<4>}	H(CC[6]HH)	114.1233	6.693	6	114.1233	44.800	6	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	H(CC[6]HH)	109.6075	0.702	20	109.5955	0.427	23	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	H(CC[6]HH)	109.5157	0.028	3	109.5955	0.427	23	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4957	0.300	34	109.4957	0.090	34	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	H(CC[6]HH)	109.4556	0.038	7	109.4556	0.001	7	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6]HH)	109.4453	0.044	8	109.4555	0.002	22	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4614	0.037	14	109.4555	0.002	22	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	H(CC[6]HH)	109.4627	0.027	3	109.4744	0.001	5	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	H(CC[6]HH)	109.4920	0.038	2	109.4744	0.001	5	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	H(CC[6]HH)	109.4732	0.028	6	109.4687	0.001	11	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	H(CC[6]HH)	109.4634	0.032	5	109.4687	0.001	11	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6]HH)	109.4762	0.051	37	109.5107	0.048	147	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	H(CC[6]HH)	109.5470	0.296	77	109.5107	0.048	147	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|Si<4>,1|C<3>,3|C<4>}	H(CC[6]HH)	109.4755	0.029	2	109.5107	0.048	147	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	H(CC[6]HH)	109.4641	0.029	31	109.5107	0.048	147	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|C<5>,1|H<1>,2|C<4>}	H(CC[6]HH)	109.4608	0.027	5	109.4730	0.002	70	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6]HH)	109.4740	0.046	60	109.4730	0.002	70	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4738	0.047	5	109.4730	0.002	70	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4563	0.026	3	109.4448	0.001	6	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	H(CC[6]HH)	109.4333	0.022	3	109.4448	0.001	6	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|O<2>}	H(CC[6]HH)	109.4917	0.050	3	109.4917	0.003	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4853	0.031	3	109.4853	0.001	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	H(CC[6]HH)	109.4975	0.032	2	109.4975	0.001	2	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	H(CC[6]HH)	109.4847	0.034	3	109.4628	0.001	13	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|C<3>}	H(CC[6]HH)	109.4679	0.034	7	109.4628	0.001	13	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){2|C<3>,4|C<4>,4|H<1>}	H(CC[6]HH)	109.4293	0.008	3	109.4628	0.001	13	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CH3){1|N<3>,3|H<1>,5|C<3>}	H(CC[6]HH)	109.4833	0.024	3	109.4833	0.001	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[5,5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[5,5,6]H)(CH3){1|O<2>,5|C<4>,5|H<1>}	H(CC[6]HH)	109.4867	0.027	3	109.4867	0.001	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(CH3){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(CC[6]HH)	109.4790	0.047	3	109.4790	0.002	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(CC[6]HH)	109.4710	0.008	2	109.4710	0.000	2	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(CC[6]HH)	109.4763	0.018	3	109.4763	0.000	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(CH3){2|C<4>,5|C<3>}	H(CC[6]HH)	110.8377	1.315	3	110.8377	1.729	3	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(CC[6]HH)	109.4910	0.045	3	109.4848	0.014	6	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(CC[6]HH)	109.4787	0.182	3	109.4848	0.014	6	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3){3|C<4>,4|H<1>}	H(CC[6]HH)	109.4656	0.029	5	109.4656	0.001	5	109.5792	0.737	609	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6,6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6,6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3){2|C<3>,3|C<4>,5|H<1>}	H(CC[6]HH)	109.4710	0.042	3	109.4710	0.002	3	109.4710	0.002	3	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(CC[6]HH)	109.4763	0.024	3	109.4763	0.001	3	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]H)(CH3){1|O<2>,2|H<1>,3|C<4>}	H(CC[6]HH)	109.4990	0.031	3	109.4990	0.001	3	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.4763	0.035	3	109.4763	0.001	3	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[6]HH)	109.4676	0.039	5	109.4676	0.002	5	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[6]HH)	109.4843	0.037	3	109.4843	0.001	3	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(CC[6]HH)	109.4660	0.010	2	109.4660	0.000	2	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6]HH)	109.4590	0.010	2	109.5368	0.183	31	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	H(CC[6]HH)	109.4467	0.039	3	109.5368	0.183	31	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(CC[6]HH)	109.4633	0.018	6	109.5368	0.183	31	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){3|C<4>,5|H<1>}	H(CC[6]HH)	109.5802	0.533	20	109.5368	0.183	31	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3){1|O<1>,3|C<4>,3|H<1>}	H(CC[6]HH)	109.4870	0.042	5	109.4870	0.002	5	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(CC[6]HH)	109.4497	0.011	3	107.3069	81.663	6	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6]HH)	105.1642	13.798	3	107.3069	81.663	6	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(CC[6]HH)	109.4620	0.023	2	109.4620	0.001	2	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(CC[6]HH)	109.4397	0.027	3	109.4746	0.002	38	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[6]HH)	109.4913	0.061	3	109.4746	0.002	38	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(CC[6]HH)	109.4925	0.051	4	109.4746	0.002	38	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,5|H<1>}	H(CC[6]HH)	109.4600	0.007	3	109.4746	0.002	38	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(CC[6]HH)	109.4543	0.075	3	109.4746	0.002	38	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(CC[6]HH)	109.4445	0.008	2	109.4746	0.002	38	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){2|C<4>,6|H<1>}	H(CC[6]HH)	109.4714	0.026	5	109.4746	0.002	38	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){4|C<4>,4|H<1>}	H(CC[6]HH)	109.4854	0.031	15	109.4746	0.002	38	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(CC[6]HH)	109.4640	0.028	3	109.4640	0.001	3	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]H)(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]H)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(CC[6]HH)	109.4777	0.027	14	109.4777	0.001	14	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]N[6])(CH3)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]N[6])(CH3){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(CC[6]HH)	109.4687	0.051	3	109.4687	0.003	3	109.3838	3.677	121	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]As[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]As[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,2|H<1>}	H(CC[6]HH)	109.4580	0.045	6	109.4580	0.002	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]B[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]B[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4657	0.045	3	109.4657	0.002	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4857	0.053	3	109.4857	0.003	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(CC[6]HH)	109.4518	0.064	5	109.4518	0.004	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[3]C[6]O)(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3]C[6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(CC[6]HH)	109.4801	0.071	9	109.4801	0.005	9	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[5,5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[5,5,6]H)(CH3){1|H<1>,4|C<4>}	H(CC[6]HH)	109.4783	0.019	3	109.4783	0.000	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	110.7960	1.642	3	110.7960	2.695	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	110.6177	0.693	3	110.6177	0.481	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	110.8523	0.223	3	110.8523	0.050	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.4551	0.065	12	109.4551	0.004	12	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[6]HH)	109.4900	0.026	3	109.4688	0.002	25	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4659	0.046	22	109.4688	0.002	25	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CC[6]HH)	109.4860	0.051	2	109.4860	0.003	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(CH3){1|N<2>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.4840	0.006	2	109.4840	0.000	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3){1|H<1>,1|N<3>,3|C<4>}	H(CC[6]HH)	110.1797	0.939	9	109.9244	0.670	14	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4650	0.058	5	109.9244	0.670	14	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4472	0.029	5	109.4796	0.001	27	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4557	0.039	3	109.4796	0.001	27	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.5016	0.045	9	109.4796	0.001	27	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<3>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4660	0.028	3	109.4796	0.001	27	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,1|S<2>,3|H<1>}	H(CC[6]HH)	109.4830	0.011	2	109.4796	0.001	27	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4775	0.018	2	109.4796	0.001	27	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.5040	0.012	3	109.4796	0.001	27	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6]HH)	109.4845	0.042	2	110.1403	5.375	16	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6]HH)	111.1133	2.476	3	110.1403	5.375	16	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4617	0.019	3	110.1403	5.375	16	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|Fe<10>,2|C<4>,2|H<1>}	H(CC[6]HH)	111.3943	5.308	3	110.1403	5.375	16	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.4833	0.024	3	110.1403	5.375	16	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4590	0.016	2	110.1403	5.375	16	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.4688	0.025	6	109.4688	0.001	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4965	0.013	2	109.4965	0.000	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]HH)	109.3047	1.442	3	109.3047	2.078	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.4747	0.019	3	109.4754	0.000	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6]HH)	109.4765	0.030	2	109.4754	0.000	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3){2|C<3>,2|H<1>}	H(CC[6]HH)	109.4746	0.030	5	109.4746	0.001	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.4470	0.056	3	109.4470	0.003	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.2827	0.215	3	109.2827	0.046	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	111.8220	1.611	3	111.8220	2.596	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	H(CC[6]HH)	109.4797	0.021	3	109.8446	2.032	19	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	H(CC[6]HH)	109.4803	0.036	3	109.8446	2.032	19	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	110.0128	1.718	13	109.8446	2.032	19	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(CH3){1|B<4>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4804	0.037	7	109.4804	0.001	7	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6]HH)	114.4647	3.910	3	114.4647	15.291	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6]HH)	109.4783	0.021	7	109.4684	0.001	30	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HH)	109.4613	0.033	18	109.4684	0.001	30	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|H<1>,4|C<4>}	H(CC[6]HH)	109.4800	0.033	5	109.4684	0.001	30	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4762	0.027	6	109.4828	0.279	36	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4540	0.037	3	109.4828	0.279	36	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.6797	2.190	3	109.4828	0.279	36	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	H(CC[6]HH)	109.4850	0.027	3	109.4828	0.279	36	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4885	0.042	2	109.4828	0.279	36	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4624	0.030	16	109.4828	0.279	36	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.4307	0.010	3	109.4828	0.279	36	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.4720	0.005	6	109.4749	0.002	51	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4757	0.052	16	109.4749	0.002	51	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4858	0.036	5	109.4749	0.002	51	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.4856	0.049	9	109.4749	0.002	51	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4710	0.009	3	109.4749	0.002	51	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>}	H(CC[6]HH)	109.4703	0.019	3	109.4749	0.002	51	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4557	0.044	6	109.4749	0.002	51	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.4733	0.024	3	109.4749	0.002	51	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.4733	0.047	3	109.4733	0.002	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,2|O<2>}	H(CC[6]HH)	109.4510	0.011	2	109.4510	0.000	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6,6a]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6,6a]H)(CH3){1|H<1>,5|C<3>}	H(CC[6]HH)	109.4804	0.049	7	109.4804	0.002	7	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(CC[6]HH)	109.4512	0.024	6	109.4512	0.001	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4767	0.023	3	109.4767	0.001	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]HH)	109.4760	0.013	2	109.4760	0.000	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HH)	109.4974	0.053	5	109.4974	0.003	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4824	0.051	5	109.4824	0.003	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]HH)	109.4570	0.037	2	109.4775	0.001	17	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4683	0.024	3	109.4775	0.001	17	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	H(CC[6]HH)	109.4635	0.037	2	109.4775	0.001	17	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.5034	0.037	7	109.4775	0.001	17	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.4490	0.023	3	109.4775	0.001	17	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CC[6]HH)	109.4487	0.036	3	109.5183	0.205	63	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.5060	0.056	3	109.5183	0.205	63	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HH)	111.0773	0.779	3	109.5183	0.205	63	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4531	0.023	12	109.5183	0.205	63	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,2|C<2>,2|H<1>}	H(CC[6]HH)	109.5043	0.058	3	109.5183	0.205	63	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	108.9437	1.220	3	109.5183	0.205	63	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(CC[6]HH)	109.4190	0.021	2	109.5183	0.205	63	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	H(CC[6]HH)	109.4713	0.061	9	109.5183	0.205	63	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4558	0.033	5	109.5183	0.205	63	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.4709	0.023	20	109.5183	0.205	63	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	110.0947	1.598	11	110.0947	2.553	11	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]HH)	109.4810	0.026	4	109.4719	0.000	9	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(CC[6]HH)	109.4660	0.014	2	109.4719	0.000	9	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	H(CC[6]HH)	109.4637	0.008	3	109.4719	0.000	9	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Cr2)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Cr2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4793	0.047	10	109.4793	0.002	10	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Cu2)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Cu2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4872	0.053	27	109.4872	0.003	27	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CuB)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CuB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4677	0.047	3	109.4677	0.002	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]EuN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]EuN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4452	0.088	6	109.4452	0.008	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4736	0.054	9	109.4736	0.003	9	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]FeSi)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]FeSi)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4783	0.022	3	109.4783	0.000	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[6]HH)	111.9234	2.926	11	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HH)	110.8068	1.869	5	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4682	0.040	9	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,3|H<1>}	H(CC[6]HH)	109.0007	0.710	3	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CC[6]HH)	109.4657	0.045	3	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|H<1>}	H(CC[6]HH)	109.4630	0.029	3	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<4>,2|H<1>}	H(CC[6]HH)	109.4603	0.041	3	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	H(CC[6]HH)	109.4815	0.025	6	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,4|H<1>}	H(CC[6]HH)	111.3970	0.307	3	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6]HH)	109.6823	2.407	6	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,3|H<1>}	H(CC[6]HH)	109.4607	0.029	3	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,4|H<1>}	H(CC[6]HH)	111.8733	3.281	12	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(CC[6]HH)	109.5575	0.030	2	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|H<1>,2|C<2>,2|C<4>}	H(CC[6]HH)	109.0073	6.503	3	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Hf<11>,1|C<4>,1|N<3>,2|H<1>}	H(CC[6]HH)	109.4989	0.056	7	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<1>,3|C<4>}	H(CC[6]HH)	109.4667	0.038	3	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	H(CC[6]HH)	109.4933	0.053	3	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<2>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4787	0.037	3	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4747	0.079	3	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<4>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4862	0.044	6	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Zr<11>,1|C<4>,1|N<3>,2|H<1>}	H(CC[6]HH)	109.4851	0.055	8	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Zr<14>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]HH)	109.4863	0.025	7	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4727	0.024	3	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	110.0402	1.847	30	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|Si<4>,1|N<3>,2|H<1>}	H(CC[6]HH)	109.4872	0.035	5	110.0349	3.697	150	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]HH)	109.4726	0.014	5	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[6]HH)	109.4752	0.034	16	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]HH)	109.4523	0.019	3	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4705	0.052	2	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	110.0334	2.311	12	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6]HH)	109.4690	0.032	3	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|H<1>}	H(CC[6]HH)	109.4776	0.042	5	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4593	0.013	3	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.5013	0.023	3	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	H(CC[6]HH)	110.3455	3.270	2	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6]HH)	109.4663	0.033	7	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|H<1>}	H(CC[6]HH)	109.4888	0.030	5	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(CC[6]HH)	109.5050	0.022	3	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CC[6]HH)	109.4831	0.025	7	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]HH)	109.4757	0.020	6	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4554	0.035	7	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(CC[6]HH)	109.6619	1.406	23	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CC[6]HH)	109.5117	0.019	3	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	H(CC[6]HH)	109.4650	0.014	5	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Pd<5>,1|C<4>,1|C<6>,2|H<1>}	H(CC[6]HH)	109.5435	0.173	2	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Pd<5>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4790	0.347	3	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Ru<9>,1|C<3>,1|N<4>,2|H<1>}	H(CC[6]HH)	109.4590	0.013	2	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.6976	0.459	11	109.5861	0.878	138	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<4>,1|N<2>,2|H<1>}	H(CC[6]HH)	109.4550	0.033	2	109.4564	0.000	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]HH)	109.4573	0.014	3	109.4564	0.000	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4695	0.028	6	109.4695	0.001	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]P)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4647	0.047	3	109.4647	0.002	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]HH)	109.4631	0.029	21	109.4631	0.001	21	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3){1|C<4>,1|S<4>,2|O<2>}	H(CC[6]HH)	109.4420	0.036	3	109.4420	0.001	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Al<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4857	0.036	8	109.4741	0.001	18	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	109.4688	0.027	5	109.4741	0.001	18	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Mg<4>,1|C<3>,1|C<4>}	H(CC[6]HH)	109.4606	0.047	5	109.4741	0.001	18	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]H)(CH3){3|C<4>}	H(CC[6]HH)	109.5003	0.036	3	109.5003	0.001	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(CC[6]HH)	109.4763	0.014	3	109.4542	0.001	10	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4545	0.022	4	109.4542	0.001	10	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4317	0.024	3	109.4542	0.001	10	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]2)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[6]HH)	109.3857	0.596	3	109.3857	0.355	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	111.0217	1.853	6	110.1693	5.059	43	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4845	0.006	2	110.1693	5.059	43	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	110.0624	2.361	35	110.1693	5.059	43	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6]HH)	109.4844	0.031	15	109.9516	3.511	44	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]HH)	110.3871	3.146	12	109.9516	3.511	44	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(CC[6]HH)	111.1142	2.277	6	109.9516	3.511	44	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(CC[6]HH)	109.4808	0.039	5	109.9516	3.511	44	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.4787	0.049	6	109.9516	3.511	44	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]C)(CH3){1|H<1>,2|C<4>}	H(CC[6]HH)	112.3817	2.167	3	112.3817	4.694	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4618	0.033	6	109.4618	0.001	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HU)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HU)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4923	0.052	6	109.4923	0.003	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]IrC)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]IrC)(C[6]C[6]C)(CH3){3|C<4>}	H(CC[6]HH)	109.4666	0.051	5	109.4666	0.003	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]IrN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]IrN)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	H(CC[6]HH)	109.4647	0.052	6	109.4647	0.003	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|C<5>}	H(CC[6]HH)	109.4227	0.053	3	109.4227	0.003	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4793	0.035	4	109.4793	0.001	4	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4692	0.037	5	109.4692	0.001	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Mn2)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Mn2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4933	0.458	12	109.4933	0.210	12	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4837	0.049	15	109.4837	0.002	15	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NV)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NV)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4872	0.039	5	109.4872	0.002	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5]Ru)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4790	0.043	3	109.4736	0.001	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5]Ru)(C[6]C[6]H)(CH3){2|C<4>,3|C<3>}	H(CC[6]HH)	109.4655	0.008	2	109.4736	0.001	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]HH)	109.4685	0.006	2	109.4685	0.000	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NiB)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NiB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4545	0.023	8	109.4545	0.001	8	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]OU)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]OU)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4655	0.074	2	109.4655	0.006	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdB)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4750	0.054	8	109.4750	0.003	8	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4587	0.015	3	109.4712	0.001	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CH3){1|C<4>,1|P<4>,2|H<1>}	H(CC[6]HH)	109.4837	0.047	3	109.4712	0.001	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4717	0.050	3	109.4717	0.003	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]RhP)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]RhP)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.5135	0.019	2	109.5135	0.000	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]RuC)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]RuC)(C[6]C[6]H)(CH3){1|Ru<5>,1|C<3>,1|H<1>}	H(CC[6]HH)	109.4872	0.043	6	109.4872	0.002	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ScN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ScN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4388	0.067	5	109.4388	0.004	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]TaN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]TaN)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4976	0.029	5	109.4976	0.001	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|C<5>}	H(CC[6]HH)	109.4930	0.000	1	109.4661	0.002	10	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(CC[6]HH)	109.4631	0.046	9	109.4661	0.002	10	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ThO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ThO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4741	0.049	7	109.4741	0.002	7	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(CC[6]HH)	111.2587	1.429	6	111.2587	2.043	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CC[6]HH)	109.4373	0.068	4	109.4373	0.005	4	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HH)	109.4537	0.020	3	109.4537	0.000	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|C<5>}	H(CC[6]HH)	109.1317	0.452	3	109.3845	0.056	13	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4604	0.040	10	109.3845	0.056	13	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4768	0.025	6	109.4768	0.001	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	H(CC[6]HH)	109.4935	0.060	2	109.4935	0.004	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3){1|C<4>,5|C<3>}	H(CC[6]HH)	109.4557	0.022	4	109.4557	0.000	4	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	H(CC[6]HH)	109.4860	0.024	3	109.4860	0.001	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]HH)	109.4724	0.029	8	109.4756	0.001	11	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	H(CC[6]HH)	109.4843	0.046	3	109.4756	0.001	11	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CH3){6|C<3>}	H(CC[6]HH)	109.4680	0.023	3	109.4680	0.001	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4583	0.026	3	109.4583	0.001	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]H)(CH3){2|C<4>,3|C<3>}	H(CC[6]HH)	109.4640	0.029	3	109.4640	0.001	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]HH)	109.4990	0.071	2	109.4990	0.005	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]HH)	109.4885	0.046	2	109.4885	0.002	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3){2|H<1>,3|C<3>}	H(CC[6]HH)	109.4650	0.044	3	109.4650	0.002	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3){4|C<3>}	H(CC[6]HH)	109.4486	0.047	5	109.4486	0.002	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	H(CC[6]HH)	109.4827	0.053	16	109.4827	0.003	16	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4827	0.020	3	109.4827	0.000	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<4>}	H(CC[6]HH)	109.4860	0.016	2	109.4860	0.000	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[6]HH)	109.4857	0.102	3	110.4261	2.226	9	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>}	H(CC[6]HH)	110.8963	1.662	6	110.4261	2.226	9	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	H(CC[6]HH)	109.4736	0.031	19	109.6104	0.412	49	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CC[6]HH)	109.5047	0.018	3	109.6104	0.412	49	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|S<4>,2|H<1>}	H(CC[6]HH)	111.6043	1.871	3	109.6104	0.412	49	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|P<3>,1|P<4>,2|H<1>}	H(CC[6]HH)	109.4878	0.058	6	109.6104	0.412	49	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|P<4>,2|H<1>}	H(CC[6]HH)	109.4830	0.041	7	109.6104	0.412	49	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<3>}	H(CC[6]HH)	109.4984	0.020	5	109.6104	0.412	49	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<4>}	H(CC[6]HH)	109.4640	0.048	6	109.6104	0.412	49	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,1|S<4>}	H(CC[6]HH)	109.4470	0.009	3	109.4538	0.000	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<4>}	H(CC[6]HH)	109.4640	0.006	2	109.4538	0.000	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(CC[6]HH)	109.4140	0.025	2	109.4140	0.001	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]OsO)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]OsO)(C[6]N[6]H)(CH3){1|Os<8>,1|C<4>}	H(CC[6]HH)	109.4807	0.025	3	109.4807	0.001	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]PdO)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]PdO)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>}	H(CC[6]HH)	109.5353	0.034	3	109.5353	0.001	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]RhO)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]RhO)(C[6]N[6]H)(CH3){1|Rh<9>,1|C<4>}	H(CC[6]HH)	109.4758	0.081	18	109.4758	0.007	18	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4477	0.038	8	109.4477	0.001	8	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	H(CC[6]HH)	109.4795	0.013	2	109.4626	0.001	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|H<1>}	H(CC[6]HH)	109.4513	0.028	3	109.4626	0.001	5	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HH)	109.4700	0.076	2	109.4700	0.006	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HN)(C[6]O[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HN)(C[6]O[6]H)(CH3){1|C<4>}	H(CC[6]HH)	109.4235	0.025	2	109.4235	0.001	2	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[3,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[3,6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<3>}	H(CC[6]HH)	109.4737	0.024	4	109.4737	0.001	4	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[4,6]AlSi)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[4,6]AlSi)(C[6]C[6]C)(CH3){1|Si<4>,2|P<3>}	H(CC[6]HH)	109.4817	0.062	6	109.4817	0.004	6	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[4,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[4,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	H(CC[6]HH)	109.4380	0.054	7	109.4380	0.003	7	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(CC[6]HH)	109.4873	0.012	3	110.2832	2.025	22	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4867	0.025	3	110.2832	2.025	22	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	H(CC[6]HH)	112.8763	0.892	3	110.2832	2.025	22	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,2|H<1>}	H(CC[6]HH)	109.4790	0.017	2	110.2832	2.025	22	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|N<3>,1|P<3>,2|H<1>}	H(CC[6]HH)	111.9627	1.006	3	110.2832	2.025	22	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4793	0.035	8	110.2832	2.025	22	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|As<3>,1|C<4>,1|W<6>,2|H<1>}	H(CC[6]HH)	109.4750	0.019	5	109.4718	0.002	84	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|P<4>,2|H<1>}	H(CC[6]HH)	109.4651	0.022	14	109.4718	0.002	84	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,1|P<3>,2|H<1>}	H(CC[6]HH)	109.4680	0.018	4	109.4718	0.002	84	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,1|P<4>,2|H<1>}	H(CC[6]HH)	109.4890	0.031	6	109.4718	0.002	84	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|H<1>}	H(CC[6]HH)	109.4880	0.024	6	109.4718	0.002	84	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	H(CC[6]HH)	109.4836	0.038	8	109.4718	0.002	84	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,2|H<1>}	H(CC[6]HH)	109.4792	0.022	5	109.4718	0.002	84	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,1|C<4>,1|P<4>,2|H<1>}	H(CC[6]HH)	109.4509	0.060	20	109.4718	0.002	84	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|Ni<4>,1|C<4>,1|P<4>,2|H<1>}	H(CC[6]HH)	109.4830	0.045	16	109.4718	0.002	84	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	H(CC[6]HH)	109.4000	0.093	3	109.4000	0.009	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|B<4>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4867	0.027	3	109.4669	0.002	29	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	H(CC[6]HH)	109.4613	0.031	4	109.4669	0.002	29	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<2>,1|W<6>,2|H<1>}	H(CC[6]HH)	109.4967	0.021	3	109.4669	0.002	29	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,2|H<1>,2|N<3>}	H(CC[6]HH)	109.4746	0.060	7	109.4669	0.002	29	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|W<6>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4360	0.017	3	109.4669	0.002	29	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|N<3>}	H(CC[6]HH)	109.4572	0.051	9	109.4669	0.002	29	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|P<4>}	H(CC[6]HH)	109.4713	0.011	3	109.4713	0.000	3	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3){1|B<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	109.4617	0.036	6	109.4662	0.001	9	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3){1|B<4>,2|C<4>,2|H<1>}	H(CC[6]HH)	109.4753	0.027	3	109.4662	0.001	9	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3){1|Ru<8>,1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4566	0.042	5	109.4517	0.002	11	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3){1|Ru<9>,1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HH)	109.4477	0.053	6	109.4517	0.002	11	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>,2|O<1>}	H(CC[6]HH)	109.4752	0.025	5	109.4732	0.002	24	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	H(CC[6]HH)	109.4483	0.016	3	109.4732	0.002	24	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|H<1>}	H(CC[6]HH)	109.4553	0.023	3	109.4732	0.002	24	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|Pt<4>,1|C<4>,2|H<1>}	H(CC[6]HH)	109.4710	0.050	3	109.4732	0.002	24	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|Ru<6>,1|S<3>,2|H<1>}	H(CC[6]HH)	109.4856	0.063	10	109.4732	0.002	24	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>}	H(CC[6]HH)	109.4530	0.000	1	109.4685	0.000	4	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3){1|H<1>,2|C<4>}	H(CC[6]HH)	109.4737	0.024	3	109.4685	0.000	4	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HH)	109.4390	0.019	3	109.4519	0.001	9	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]HH)	109.4583	0.034	6	109.4519	0.001	9	109.6505	1.054	1504	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(CC[6]HH)	109.2600	0.527	3	109.2600	0.278	3	108.3944	16.299	12	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6]HH)	109.4343	0.021	3	108.1059	21.967	9	108.3944	16.299	12	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]HH)	107.4417	5.793	6	108.1059	21.967	9	108.3944	16.299	12	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]ThO)(C[6]C[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]ThO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HH)	109.4860	0.046	3	109.4860	0.002	3	109.4860	0.002	3	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:3:4:	4:	C[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]S[6])(H)3	C[6](S[6]N[5,6]OO)(C[6]N[6]H)(CH3)	H(CC[6]HH)	C(C[6]C[6]S[6])(H)3	C[6](S[6]N[5,6]OO)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>}	H(CC[6]HH)	109.4407	0.087	3	109.4407	0.008	3	109.4407	0.008	3	109.6066	1.147	2357	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[6]HH)	109.4420	0.051	3	109.4420	0.003	3	109.4420	0.003	3	109.4400	0.005	5	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	4:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<4>}	H(CC[6]HH)	109.4370	0.124	2	109.4370	0.015	2	109.4370	0.015	2	109.4400	0.005	5	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	5:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[3x3,4,3x5,15x6]-5:C[6,6a]-3:C-4:	C-4:	C(C[6]C[3x3,4,3x5,15x6]C[6,6a])(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[6,6a]C[6,6a]C[6a])(CH3)	H(CC[6]HH)	C(C[6]C[3x3,4,3x5,15x6]C[6,6a])(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[6,6a]C[6,6a]C[6a])(CH3){1|C<5>,3|C<3>,4|H<1>,5|B<6>}	H(CC[6]HH)	109.4987	0.038	3	109.4987	0.001	3	109.4987	0.001	3	109.4870	0.001	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	5:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-5:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]Ru3)(N[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]Ru3)(N[6]C[6]C)(CH3){2|C<3>}	H(CC[6]HH)	109.4753	0.031	3	109.4753	0.001	3	109.4753	0.001	3	109.4870	0.001	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	6:3:4:	4:	C[6]-3:H-1:H-1:H-1:	B[4x3,4,5x5,22x6]-6:C[6,6a]-3:C-4:	C-4:	C(C[6]B[4x3,4,5x5,22x6]C[6,6a])(H)3	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6,6a]C[6,6a]C[6a])(CH3)	H(CC[6]HH)	C(C[6]B[4x3,4,5x5,22x6]C[6,6a])(H)3	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	H(CC[6]HH)	109.4943	0.029	3	109.4943	0.001	3	109.4943	0.001	3	109.4870	0.002	9	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	6:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CH3)	H(CC[6]HH)	C(C[6]C[5x3,5x5,21x6]C[6])(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CH3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	H(CC[6]HH)	109.4867	0.071	3	109.4867	0.005	3	109.4867	0.005	3	109.4870	0.002	9	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:1:1:1:	6:3:4:	4:	C[6]-3:H-1:H-1:H-1:	Nb[4x6]-6:C[6]-3:C-4:	C-4:	C(C[6]Nb[4x6]C[6])(H)3	C[6](Nb[4x6]N[5,6,6]3O[6]O)(C[6]C[6]C)(CH3)	H(CC[6]HH)	C(C[6]Nb[4x6]C[6])(H)3	C[6](Nb[4x6]N[5,6,6]3O[6]O)(C[6]C[6]C)(CH3){1|H<1>,2|C<4>,3|C<3>,3|N<3>}	H(CC[6]HH)	109.4800	0.043	3	109.4800	0.002	3	109.4800	0.002	3	109.4870	0.002	9	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	2:2:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-2:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(SC)(H)2	C[6](N[6]C[6,6a])(N[6]S[6])(CHHS)	H(CC[6]HS)	C(C[6]N[6]2)(SC)(H)2	C[6](N[6]C[6,6a])(N[6]S[6])(CHHS){2|C<3>,2|O<1>}	H(CC[6]HS)	111.8175	4.900	2	111.8175	24.006	2	111.8175	24.006	2	111.8175	24.006	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[5,6]O[6])(OH)(H)2	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(CHHO)	H(CC[6]HO)	C(C[6]C[5,6]O[6])(OH)(H)2	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(CHHO){1|O<2>,3|C<4>,4|H<1>}	H(CC[6]HO)	111.0950	2.943	2	111.0950	8.661	2	110.7775	3.022	4	110.6238	3.485	20	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[5,6]O[6])(OP)(H)2	C[6](C[5,6]C[5,6]O[5])(O[6]C[5,6])(CHHO)	H(CC[6]HO)	C(C[6]C[5,6]O[6])(OP)(H)2	C[6](C[5,6]C[5,6]O[5])(O[6]C[5,6])(CHHO){2|C<4>,2|H<1>,2|O<2>}	H(CC[6]HO)	110.4600	0.034	2	110.4600	0.001	2	110.7775	3.022	4	110.6238	3.485	20	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,1|H<1>}	H(CC[6]HO)	112.9070	1.194	2	111.5577	10.716	4	111.6681	5.329	8	110.6238	3.485	20	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	110.2085	4.842	2	111.5577	10.716	4	111.6681	5.329	8	110.6238	3.485	20	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HO)	111.1945	0.042	2	111.1945	0.002	2	111.6681	5.329	8	110.6238	3.485	20	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]N[6]N)(C[6]N[6])(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]N[6]N)(C[6]N[6])(CHHO){1|C<3>,1|C<4>}	H(CC[6]HO)	112.3625	1.921	2	112.3625	3.691	2	111.6681	5.329	8	110.6238	3.485	20	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(OC)(H)2	C[6](C[6]C[6,6a]H)(O[6]C[6])(CHHO)	H(CC[6]HO)	C(C[6]C[6]O[6])(OC)(H)2	C[6](C[6]C[6,6a]H)(O[6]C[6])(CHHO){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]HO)	109.8545	0.028	2	109.8545	0.001	2	109.8545	0.001	2	110.6238	3.485	20	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:S[6]-2:C-4:	C-4:	C(C[6]C[6]S[6])(OC)(H)2	C[6](C[6]S[6]C)(S[6]C[6])(CHHO)	H(CC[6]HO)	C(C[6]C[6]S[6])(OC)(H)2	C[6](C[6]S[6]C)(S[6]C[6])(CHHO){1|C<4>,2|H<1>}	H(CC[6]HO)	109.7675	0.005	2	109.7675	0.000	2	109.7675	0.000	2	110.6238	3.485	20	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(SC)(H)2	C[6](N[6]C[6,6a]H)(N[6]S[6])(CHHS)	H(CC[6]HS)	C(C[6]N[6]2)(SC)(H)2	C[6](N[6]C[6,6a]H)(N[6]S[6])(CHHS){2|C<3>,2|O<1>}	H(CC[6]HS)	109.1940	0.261	4	109.1940	0.068	4	109.1940	0.068	4	110.6238	3.485	20	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	H(CC[6]CH)	109.0535	0.011	2	109.0535	0.000	2	109.0535	0.000	2	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]Ru)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]Ru)(CHHN){2|C<3>}	H(CC[6]HN)	109.2765	0.013	2	109.2765	0.000	2	108.7292	0.283	6	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<4>,1|C<3>,1|H<1>}	H(CC[6]HN)	108.3875	0.006	2	108.3875	0.000	2	108.7292	0.283	6	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>}	H(CC[6]HN)	108.5235	0.705	2	108.5235	0.497	2	108.7292	0.283	6	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2995	0.037	2	109.2995	0.001	2	109.3136	0.048	18	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.5335	0.019	2	109.5335	0.000	2	109.3136	0.048	18	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCr)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCr)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2315	0.480	2	109.2315	0.231	2	109.3136	0.048	18	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2220	0.018	2	109.2220	0.000	2	109.3136	0.048	18	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NP)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NP)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.0595	0.031	4	109.0595	0.001	4	109.3136	0.048	18	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NP)(H)2	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NP)(H)2	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN){1|C<3>,1|C<5>,1|H<1>}	H(CC[6]HN)	109.4180	0.037	2	109.4180	0.001	2	109.3136	0.048	18	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPt)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPt)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.4993	0.108	4	109.4993	0.012	4	109.3136	0.048	18	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>,3|O<2>}	H(CC[6]HO)	109.3535	0.012	2	109.3535	0.000	2	109.3535	0.000	2	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6,6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6,6]H)(CHHO){1|H<1>,2|C<4>,2|O<2>}	H(CC[6]HO)	109.5640	0.049	2	109.5640	0.002	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO){2|C<3>}	H(CC[6]HO)	109.7230	0.000	1	109.7230	0.000	1	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<4>,1|H<1>,1|N<3>}	H(CC[6]HO)	108.6525	0.074	2	108.6525	0.006	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HO)	109.0955	0.052	2	109.0955	0.003	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]O[6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]O[6]O)(CHHO){1|C<4>,2|H<1>}	H(CC[6]HO)	112.0465	2.017	2	112.0465	4.070	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO){1|C<3>,1|F<1>}	H(CC[6]HO)	108.3770	0.014	2	108.3770	0.000	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,2|C<4>}	H(CC[6]HO)	112.1390	0.016	2	112.1390	0.000	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.5998	0.871	4	109.2787	0.118	39	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Cu<5>,1|C<3>,1|H<1>}	H(CC[6]HO)	109.9260	0.000	1	109.2787	0.118	39	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pt<4>,1|C<3>,1|H<1>}	H(CC[6]HO)	109.1906	0.154	32	109.2787	0.118	39	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Re<6>,1|C<3>,1|H<1>}	H(CC[6]HO)	109.7225	0.039	2	109.2787	0.118	39	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)2(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)2(CHHO){1|C<2>,2|H<1>}	H(CC[6]HO)	108.3997	8.619	4	109.7502	6.906	44	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)2(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HO)	109.3812	0.388	16	109.7502	6.906	44	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)2(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>}	H(CC[6]HO)	112.5935	2.425	4	109.7502	6.906	44	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)2(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	H(CC[6]HO)	109.7467	0.807	20	109.7502	6.906	44	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6]HO)	110.6729	0.285	17	110.6729	0.081	17	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC[6])(H)2	C[6](C[6]C[6]H)2(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6])(H)2	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>}	H(CC[6]HO)	109.8275	0.043	2	109.8275	0.002	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO){2|C<3>}	H(CC[6]HO)	110.0580	0.000	1	110.0580	0.000	1	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Cu<5>,1|C<3>,1|H<1>}	H(CC[6]HO)	109.8105	0.054	2	110.2257	0.164	15	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6]HO)	110.2896	0.398	13	110.2257	0.164	15	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]H)2(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	H(CC[6]HO)	109.9776	0.223	7	109.9776	0.050	7	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OD)(H)2	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OD)(H)2	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO){1|H<1>,1|N<3>,3|C<4>}	H(CC[6]HO)	108.9035	1.306	2	108.9035	1.706	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[4,5,6]H)(C[6]C[3,6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[4,5,6]H)(C[6]C[3,6]O)(CHHO){1|H<1>,2|C<4>,2|O<2>}	H(CC[6]HO)	108.9483	0.071	4	108.9483	0.005	4	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	H(CC[6]HO)	108.4845	0.023	2	108.4845	0.001	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CHHO){2|H<1>,3|C<4>}	H(CC[6]HO)	108.8978	0.055	4	108.8978	0.003	4	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CHHO){1|O<2>,3|C<3>}	H(CC[6]HO)	109.0550	0.016	2	109.0550	0.000	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CHHO){3|C<3>}	H(CC[6]HO)	109.7575	0.005	2	109.7575	0.000	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<4>,1|H<1>,1|N<3>}	H(CC[6]HO)	109.2069	0.353	18	109.2069	0.124	18	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HO)	109.7582	0.654	30	109.7475	0.614	32	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|O<2>}	H(CC[6]HO)	109.5860	2.567	2	109.7475	0.614	32	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO){1|N<3>,2|C<3>}	H(CC[6]HO)	109.0340	0.000	1	109.0340	0.000	1	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	108.7980	0.144	13	108.8500	0.038	21	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<4>,1|C<3>,1|H<1>}	H(CC[6]HO)	108.6990	0.000	1	108.8500	0.038	21	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6]HO)	108.9200	0.041	2	108.8500	0.038	21	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Re<6>,1|C<3>,1|H<1>}	H(CC[6]HO)	109.3105	0.021	2	108.8500	0.038	21	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Rh<4>,1|C<3>,1|H<1>}	H(CC[6]HO)	108.7723	0.046	3	108.8500	0.038	21	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	108.8510	0.014	2	108.8510	0.000	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)2(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HO)	109.2982	0.511	16	109.2069	0.174	31	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)2(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	H(CC[6]HO)	108.7897	0.270	4	109.2069	0.174	31	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)2(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]H)2(CHHO){3|N<3>}	H(CC[6]HO)	109.2259	0.163	11	109.2069	0.174	31	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OMo)(H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OMo)(H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(CHHO){1|C<2>,2|H<1>}	H(CC[6]HO)	110.1195	1.678	2	110.1195	2.816	2	109.5571	1.663	261	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]HO)	109.9005	0.164	4	109.9005	0.027	4	109.6253	1.796	45	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	H(CC[6]HO)	108.7110	2.801	8	109.2313	4.616	14	109.6253	1.796	45	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|N<3>,1|O<1>,1|S<1>}	H(CC[6]HO)	109.9250	0.106	6	109.2313	4.616	14	109.6253	1.796	45	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC[6a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	110.0989	0.420	18	110.0989	0.176	18	109.6253	1.796	45	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.0687	0.245	4	109.0687	0.060	4	109.6253	1.796	45	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.4030	0.000	1	109.4030	0.000	1	109.6253	1.796	45	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]S)(N[6]C[6]C)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]S)(N[6]C[6]C)(CHHO){2|C<4>,3|H<1>}	H(CC[6]HO)	109.2485	0.661	2	109.2485	0.437	2	109.6253	1.796	45	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OP)(H)2	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OP)(H)2	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.1710	2.612	2	109.1710	6.823	2	109.6253	1.796	45	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	109.7150	0.000	1	109.7150	0.000	1	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	110.6350	3.466	2	110.6350	12.015	2	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.1455	0.035	2	109.1455	0.001	2	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.6105	0.281	4	109.8418	0.182	6	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	110.3045	0.173	2	109.8418	0.182	6	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.8446	0.498	5	109.6090	0.350	9	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.3145	0.628	4	109.6090	0.350	9	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.4320	0.028	2	109.6715	0.078	4	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.9110	0.061	2	109.6715	0.078	4	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHO){2|O<1>,4|C<3>}	H(CC[6]HO)	108.7488	0.124	4	108.7488	0.015	4	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.5935	0.013	2	109.5935	0.000	2	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC[6])(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6])(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO){1|C<4>,2|C<3>}	H(CC[6]HO)	110.2507	0.297	7	110.2507	0.088	7	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC[6a])(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6a])(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	109.6496	0.528	8	109.6496	0.279	8	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.0855	0.015	4	109.3983	0.043	14	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.5234	0.041	10	109.3983	0.043	14	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	108.7620	0.000	1	108.7620	0.000	1	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	108.7150	0.407	4	108.7150	0.166	4	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	109.3483	0.321	11	109.3483	0.103	11	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.2110	0.093	2	109.2110	0.009	2	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	109.0315	0.049	2	109.0315	0.002	2	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ON)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ON)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.1004	0.203	14	109.1004	0.041	14	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OP)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OP)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.1875	0.008	2	109.1875	0.000	2	109.4413	0.398	95	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]2)(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	102.5017	4.398	6	102.5017	19.342	6	106.2024	18.709	14	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6]C[6]H)2(CHHS)	H(CC[6]HS)	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6]C[6]H)2(CHHS){1|N<3>,2|H<1>}	H(CC[6]HS)	108.6502	0.162	6	108.6502	0.026	6	106.2024	18.709	14	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CHHS)	H(CC[6]HS)	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CHHS){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]HS)	109.9615	0.008	2	109.9615	0.000	2	106.2024	18.709	14	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	106.7939	3.926	13	106.7939	15.413	13	107.7925	8.984	25	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[5])(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[5])(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	108.9737	0.592	4	108.9737	0.351	4	107.7925	8.984	25	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[5a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[5a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.6990	0.306	4	108.6990	0.094	4	107.7925	8.984	25	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SW)(H)2	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SW)(H)2	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.9505	0.844	4	108.9505	0.713	4	107.7925	8.984	25	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6]HS)	109.4030	0.424	12	109.4030	0.180	12	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	108.9052	0.124	8	108.9052	0.015	8	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.7895	0.032	2	109.7895	0.001	2	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.4405	0.070	6	108.4405	0.005	6	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	109.3600	0.023	2	109.3600	0.001	2	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.1745	4.908	6	109.1745	24.085	6	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[5a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[5a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	112.3330	1.048	2	112.3330	1.098	2	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.1687	1.639	3	108.7112	1.735	5	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	108.0250	0.004	2	108.7112	1.735	5	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SNi)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SNi)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.1700	0.128	4	109.1700	0.016	4	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SPd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SPd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.6310	0.417	7	108.6310	0.174	7	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SRe)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SRe)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.6178	0.166	4	109.6932	0.030	6	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SRe)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SRe)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	109.8440	0.016	2	109.6932	0.030	6	109.1924	2.742	60	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(SeC)(H)2	C[6](C[6]C[6]H)2(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]2)(SeC)(H)2	C[6](C[6]C[6]H)2(CSeHH){1|N<3>,2|H<1>}	H(CC[6]SeH)	109.3940	0.395	4	109.3940	0.156	4	109.4608	0.105	6	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(SeC[6a])(H)2	C[6](C[6]C[6]H)2(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]2)(SeC[6a])(H)2	C[6](C[6]C[6]H)2(CSeHH){1|N<3>,2|H<1>}	H(CC[6]SeH)	109.5945	0.069	2	109.5945	0.005	2	109.4608	0.105	6	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH){1|C<3>,2|H<1>}	H(CC[6]SeH)	110.3020	0.018	2	110.3020	0.000	2	109.6524	0.211	7	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6]SeH)	109.2110	0.000	1	109.2110	0.000	1	109.6524	0.211	7	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SeC[6a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC[6a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH){1|C<3>,2|H<1>}	H(CC[6]SeH)	109.5390	0.031	2	109.5390	0.001	2	109.6524	0.211	7	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SeC[6a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC[6a])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6]SeH)	109.3370	0.011	2	109.3370	0.000	2	109.6524	0.211	7	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:Se-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SeC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6]SeH)	109.5143	0.169	6	109.5143	0.029	6	109.5143	0.029	6	109.3161	2.551	547	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(OC)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OC)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO){1|C<3>,2|H<1>,4|C<4>}	H(CC[6]HO)	109.4885	0.008	2	109.4885	0.000	2	109.5848	0.007	6	109.6952	0.472	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(OH)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CHHO)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OH)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CHHO){2|C<3>,2|C<4>,3|H<1>}	H(CC[6]HO)	109.6330	0.045	4	109.6330	0.002	4	109.5848	0.007	6	109.6952	0.472	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO)	H(CC[6]HO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO){2|O<2>,3|C<4>,3|H<1>}	H(CC[6]HO)	109.8350	0.033	4	109.8350	0.001	4	109.8350	0.001	4	109.6952	0.472	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CHHO){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]HO)	110.6010	0.923	2	110.6010	0.853	2	109.7897	0.866	13	109.6952	0.472	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHO){1|C<3>,1|C<4>}	H(CC[6]HO)	110.6352	0.076	4	110.6352	0.006	4	109.7897	0.866	13	109.6952	0.472	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]HO)	108.9455	0.033	2	108.9455	0.001	2	109.7897	0.866	13	109.6952	0.472	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CHHO){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]HO)	108.4225	0.004	2	108.4225	0.000	2	109.7897	0.866	13	109.6952	0.472	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[5a,6]H)(C[6]C[6]CH)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[5a,6]H)(C[6]C[6]CH)(CHHO){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]HO)	109.3890	0.000	1	109.3890	0.000	1	109.7897	0.866	13	109.6952	0.472	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHHO){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]HO)	109.6990	0.018	2	109.6990	0.000	2	109.7897	0.866	13	109.6952	0.472	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(SC[5a])(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS)	H(CC[6]HS)	C(C[6]C[6]2)(SC[5a])(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS){1|C<3>,1|C<4>}	H(CC[6]HS)	109.1330	0.016	2	109.1330	0.000	2	109.1330	0.000	2	109.6952	0.472	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:2:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(ON)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ON)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CHHO){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]HO)	109.1495	0.026	2	109.1495	0.001	2	109.1495	0.001	2	109.1495	0.001	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(OD)(H)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OD)(H)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO){1|C<3>,1|D<1>,1|H<1>,1|O<1>,2|C<4>}	H(CC[6]HO)	108.1240	1.796	2	108.1240	3.226	2	108.9987	0.632	10	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(OH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHHO){1|O<2>,3|C<4>,4|H<1>}	H(CC[6]HO)	109.3715	0.008	2	109.3715	0.000	2	108.9987	0.632	10	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(OH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CHHO){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(CC[6]HO)	108.9455	0.032	2	108.9455	0.001	2	108.9987	0.632	10	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(CC[6]HO)	108.9870	0.054	2	108.9870	0.003	2	108.9987	0.632	10	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(OSi)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OSi)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,3|H<1>}	H(CC[6]HO)	109.5655	0.008	2	109.5655	0.000	2	108.9987	0.632	10	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(OC)(H)2	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO)	H(CC[6]HO)	C(C[6]C[6,6]C[6])(OC)(H)2	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6]HO)	109.4930	1.836	2	109.4930	3.370	2	109.1547	0.539	21	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHHO)	H(CC[6]HO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHHO){1|O<2>,3|C<4>,4|H<1>}	H(CC[6]HO)	109.3495	0.013	2	109.3495	0.000	2	109.1547	0.539	21	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CHHO){3|C<4>,5|H<1>}	H(CC[6]HO)	108.9729	0.914	8	108.9729	0.836	8	109.1547	0.539	21	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHHO)	H(CC[6]HO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHHO){2|C<3>,2|C<4>,4|H<1>}	H(CC[6]HO)	109.0924	0.319	7	109.0924	0.102	7	109.1547	0.539	21	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(CC[6]HO)	109.5670	0.016	2	109.5670	0.000	2	109.1547	0.539	21	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO){1|C<3>,1|H<1>,2|C<4>}	H(CC[6]HO)	110.4320	0.064	2	110.4320	0.004	2	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]HO)	110.0945	0.023	2	110.0945	0.001	2	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	H(CC[6]HO)	109.6850	0.618	30	109.6634	0.302	38	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO){1|C<4>,2|C<3>}	H(CC[6]HO)	109.5826	0.066	8	109.6634	0.302	38	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6]HO)	110.0595	0.045	2	110.0595	0.002	2	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HO)	109.4145	0.036	2	109.4145	0.001	2	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO){1|C<4>,4|H<1>}	H(CC[6]HO)	110.8820	1.813	2	110.8820	3.287	2	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.8330	1.780	2	109.8330	3.170	2	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]HO)	109.4587	0.021	4	109.4587	0.000	4	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CHHO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6]HO)	108.4975	0.028	2	108.4975	0.001	2	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CHHO){1|C<3>,1|H<1>,2|C<4>}	H(CC[6]HO)	108.5605	0.019	2	108.5605	0.000	2	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CHHO){2|H<1>,3|C<4>}	H(CC[6]HO)	109.2815	0.459	4	109.2815	0.210	4	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]HO)	110.1380	6.583	2	110.1380	43.338	2	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]HO)	108.9565	0.009	2	109.0667	0.018	4	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]HO)	109.1770	0.079	2	109.0667	0.018	4	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OSi)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OSi)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO){2|C<4>,3|H<1>}	H(CC[6]HO)	112.1725	1.439	2	112.1725	2.071	2	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OSi)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OSi)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){2|H<1>,3|C<4>}	H(CC[6]HO)	109.1200	0.000	1	109.1200	0.000	1	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OSi)(H)2	C[6](C[6]C[6]OO)(C[6]C[6]Br)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OSi)(H)2	C[6](C[6]C[6]OO)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]HO)	109.9950	0.132	2	109.9950	0.017	2	109.6948	1.244	73	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]HO)	110.2880	0.010	2	110.2880	0.000	2	110.2880	0.000	2	109.5333	1.095	106	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:2:1:	3:3:4:	4:	C[6]-3:C-2:C-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CN)2(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CN)2(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH){2|C<2>,4|C<3>}	H(CC[6]CC)	105.4070	0.000	1	105.4070	0.000	1	105.4070	0.000	1	108.4771	2.394	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(OC)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHOO)	H(CC[6]OO)	C(C[6]C[6,6a]C[6])(OC)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHOO){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]OO)	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	108.4771	2.394	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(OH)(H)	C[6](C[6]C[6]H)2(CHOO)	H(CC[6]OO)	C(C[6]C[6]2)(OC)(OH)(H)	C[6](C[6]C[6]H)2(CHOO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]OO)	111.8790	0.000	1	110.7280	2.650	2	110.7280	2.650	2	108.4771	2.394	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OC)(OH)(H)	C[6](C[6]C[6]H)2(CHOO)	H(CC[6]OO)	C(C[6]C[6]2)(OC)(OH)(H)	C[6](C[6]C[6]H)2(CHOO){1|N<3>,2|H<1>}	H(CC[6]OO)	109.5770	0.000	1	110.7280	2.650	2	110.7280	2.650	2	108.4771	2.394	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	H(CC[6]OO)	C(C[6]C[6]N[6])(OC)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]OO)	108.1958	0.315	4	108.1958	0.100	4	108.1048	0.116	5	108.4771	2.394	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OH)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	H(CC[6]OO)	C(C[6]C[6]N[6])(OH)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,2|H<1>}	H(CC[6]OO)	107.7410	0.000	1	107.7410	0.000	1	108.1048	0.116	5	108.4771	2.394	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC)2(H)	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(CHOO)	H(CC[6]OO)	C(C[6]C[6]N[6])(OC)2(H)	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(CHOO){1|H<1>,2|C<3>}	H(CC[6]OO)	108.1027	0.266	3	108.1027	0.071	3	108.1027	0.071	3	108.4771	2.394	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:2:3:1:	3:3:4:	4:	C[6]-3:N-2:O-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6])(OCuH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO)	H(CC[6]NO)	C(C[6]C[6]N[6])(NC[6])(OCuH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	H(CC[6]NO)	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	2:2:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)2(H)2	C[6](N[6]N[6])2(CC[6]HH)	H(CC[6]2H)	C(C[6]N[6]2)2(H)2	C[6](N[6]N[6])2(CC[6]HH){1|C<3>,2|C<4>}	H(CC[6]2H)	109.1230	0.853	2	109.1230	0.727	2	109.1230	0.727	2	109.3771	0.397	9	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	2:2:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	O[6]-2:O[6]-2:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]O[6]2)(H)2	C[6](O[6]B[6,6])2(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]O[6]2)(H)2	C[6](O[6]B[6,6])2(CC[6a]HH){2|C<3>,3|O<2>}	H(CC[6a]C[6]H)	109.4497	0.617	7	109.4497	0.380	7	109.4497	0.380	7	109.3771	0.397	9	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	2:3:4:	4:	C[6]-3:C-3:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(CC[6a]O)(H)2	C[6](O[6]C[5,6])(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6a]O)(H)2	C[6](O[6]C[5,6])(C[6]C[6]H)(CCHH){1|H<1>,3|C<3>}	H(CC[6]CH)	108.9485	0.009	2	108.9485	0.000	2	108.7947	0.033	4	108.7947	0.033	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	2:3:4:	4:	C[6]-3:C-3:H-1:H-1:	O[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6])(COO)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(COO)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]H)(CCHH){1|N<3>,3|C<3>}	H(CC[6]CH)	108.6410	0.062	2	108.6410	0.004	2	108.7947	0.033	4	108.7947	0.033	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.8390	0.143	2	108.8390	0.020	2	108.8390	0.020	2	109.2150	3.298	19	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CCH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CCH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]CH)	108.4835	1.996	2	108.4835	3.985	2	108.5842	1.342	4	109.2150	3.298	19	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(COO)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(COO)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]CH)	108.6850	0.014	2	108.6850	0.000	2	108.5842	1.342	4	109.2150	3.298	19	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6,6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(CC[6a]C[6]H)	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	109.2150	3.298	19	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHHN){1|C<3>,1|H<1>}	H(CC[6]HN)	108.3995	0.023	2	108.3995	0.001	2	108.5412	0.027	4	109.2150	3.298	19	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHHN){1|Cd<5>,1|C<3>,1|C<4>}	H(CC[6]HN)	108.6830	0.040	2	108.6830	0.002	2	108.5412	0.027	4	109.2150	3.298	19	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(NCH)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6])(CHHN)	H(CC[6]HN)	C(C[6]N[6]2)(NCH)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6])(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.1340	0.588	4	109.1340	0.346	4	109.1340	0.346	4	109.2150	3.298	19	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(ONiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6])(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ONiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6])(CHHO){1|C<3>,1|N<3>}	H(CC[6]HO)	108.3410	0.867	2	108.3410	0.752	2	108.3410	0.752	2	109.2150	3.298	19	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHS)	H(CC[6]HS)	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	113.3955	3.625	2	113.3955	13.143	2	113.3955	13.143	2	109.2150	3.298	19	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]N[5]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(CC[5]HH)	H(CC[5]C[6]H)	C(C[5]N[5]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(CC[5]HH){1|C<3>,2|C<4>}	H(CC[5]C[6]H)	110.2322	4.106	6	110.2322	16.857	6	110.2322	16.857	6	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]HH)	H(CC[5]C[6]H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[5]C[6]H)	108.0115	0.052	2	108.0115	0.003	2	107.7572	0.088	4	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]HH)	H(CC[5]C[6]H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[5]C[6]H)	107.5030	0.041	2	107.5030	0.002	2	107.7572	0.088	4	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH)	H(CC[5a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH){1|C<3>,1|C<4>,3|H<1>}	H(CC[5a]C[6]H)	110.1960	0.037	2	110.1960	0.001	2	109.4537	0.735	4	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]O[6]O)2(CC[5a]HH)	H(CC[5a]C[6]H)	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]O[6]O)2(CC[5a]HH){1|C<4>}	H(CC[5a]C[6]H)	108.7115	0.009	2	108.7115	0.000	2	109.4537	0.735	4	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:Br-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]O)(Br)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH)	H(CC[6]BrC)	C(C[6]C[6]N[6])(CC[6a]O)(Br)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH){1|C<3>,2|H<1>}	H(CC[6]BrC)	108.2670	0.000	1	108.2670	0.000	1	108.2670	0.000	1	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH){2|C<3>,4|C<4>}	H(CC[6]CH)	109.4463	0.045	4	109.4463	0.002	4	109.4463	0.002	4	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CCH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CCH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH){2|C<3>,4|C<4>}	H(CC[6]CH)	109.6410	0.044	2	109.6410	0.002	2	108.9028	0.342	6	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(COO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(COO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH){3|C<4>,5|H<1>}	H(CC[6]CH)	108.5337	0.158	4	108.5337	0.025	4	108.9028	0.342	6	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]CH)	108.2580	0.027	2	108.2580	0.001	2	108.6686	0.037	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CCHH){1|H<1>,5|C<3>}	H(CC[6]CH)	108.4895	0.032	2	108.4895	0.001	2	108.6686	0.037	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CCO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CCO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6]CH)	108.7755	0.028	8	108.7755	0.001	8	108.6686	0.037	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(CC[6]CH)	108.7498	0.085	4	108.7498	0.007	4	108.6686	0.037	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[6]CH)	108.7745	0.320	6	108.7100	0.088	8	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6]CH)	108.5165	0.015	2	108.7100	0.088	8	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	108.8326	0.382	5	108.8326	0.146	5	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]O)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	108.1550	0.194	11	108.1550	0.038	11	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(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>}	H(CC[6]CH)	108.7040	0.000	1	108.7040	0.000	1	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	H(CC[6]CH)	109.0870	0.018	2	109.0870	0.000	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6]CH)	108.5425	0.042	2	108.5425	0.002	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,2|C<3>,4|B<6>}	H(CC[6]CH)	108.6175	0.012	2	108.6175	0.000	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH){2|C<3>,3|C<4>}	H(CC[6]CH)	109.1420	0.016	2	109.1420	0.000	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6]CH)	109.1955	0.644	2	109.1955	0.415	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]O)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]O)2(CCHH){2|C<3>,3|C<4>}	H(CC[6]CH)	108.8735	0.018	4	108.8735	0.000	4	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	H(CC[6]CH)	109.1580	0.028	2	108.7920	0.179	4	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>}	H(CC[6]CH)	108.4260	0.018	2	108.7920	0.179	4	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	H(CC[6]CH)	107.9435	0.648	2	107.9435	0.420	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|O<2>,2|C<3>}	H(CC[6]CH)	108.0410	3.654	2	108.0410	13.354	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]O)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]O)2(CCHH){2|C<3>,2|C<4>}	H(CC[6]CH)	109.3480	0.057	2	109.3480	0.003	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]CH)	107.9880	0.004	2	107.9880	0.000	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6]CH)	109.1965	0.060	2	109.1965	0.004	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]O)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	108.4670	0.014	2	108.4670	0.000	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]CH)	109.0285	0.023	2	109.0285	0.001	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH){1|O<1>,2|C<3>}	H(CC[6]CH)	109.4820	0.057	2	109.4820	0.003	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	107.8525	0.739	2	107.8525	0.546	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	H(CC[6]CH)	108.3210	0.006	2	108.3210	0.000	2	108.6257	0.466	63	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CNO)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CNO)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CH)	109.9032	1.913	4	109.9032	3.658	4	109.1881	2.220	8	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(COO)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(COO)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6]CH)	108.4730	0.398	4	108.4730	0.159	4	109.1881	2.220	8	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(COO)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]N[5,6]C[6])(COO)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CCHH){1|H<1>,2|O<1>,4|C<3>}	H(CC[6]CH)	109.3310	0.057	2	109.3310	0.003	2	109.3310	0.003	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CFeO)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CFeO)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CH)	109.2295	0.110	16	109.2415	0.016	29	109.4924	2.816	39	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CFeO)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CFeO)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]CH)	109.1365	0.019	2	109.2415	0.016	29	109.4924	2.816	39	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CFeO)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CFeO)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]CH)	109.2781	0.152	11	109.2415	0.016	29	109.4924	2.816	39	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	116.1890	3.004	2	116.1890	9.023	2	109.4924	2.816	39	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(COO)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(COO)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.2255	0.008	2	108.2255	0.000	2	109.4924	2.816	39	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(COO)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(COO)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]CH)	108.8950	0.369	6	108.8950	0.136	6	109.4924	2.816	39	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[5a]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[5a]N[5a]2)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5a]HH)	H(CC[5a]C[6]H)	C(C[6]C[6]N[6])(C[5a]N[5a]2)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6]H)	108.8190	0.011	2	108.8190	0.000	2	108.8190	0.000	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])2(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6,6]C[6])2(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6]2H)	108.9964	0.072	7	108.9964	0.005	7	108.9964	0.005	7	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6]HH){2|H<1>,3|C<3>}	H(CC[6]2H)	108.5875	0.016	2	108.5875	0.000	2	108.5875	0.000	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HH){2|C<3>,2|C<4>}	H(CC[6]2H)	109.2805	1.438	2	109.2805	2.067	2	108.9085	0.502	73	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]2H)	109.0137	0.278	11	109.0751	0.504	49	108.9085	0.502	73	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]2H)	109.4601	0.356	15	109.0751	0.504	49	108.9085	0.502	73	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,2|C<4>}	H(CC[6]2H)	109.1033	1.020	15	109.0751	0.504	49	108.9085	0.502	73	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<4>,2|C<3>}	H(CC[6]2H)	108.8060	0.045	2	109.0751	0.504	49	108.9085	0.502	73	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){2|C<3>}	H(CC[6]2H)	108.3383	0.375	4	109.0751	0.504	49	108.9085	0.502	73	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){3|C<3>}	H(CC[6]2H)	108.0570	0.016	2	109.0751	0.504	49	108.9085	0.502	73	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)2(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|C<4>}	H(CC[6]2H)	108.6675	0.476	15	108.6675	0.227	15	108.9085	0.502	73	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]O)2(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,4|H<1>}	H(CC[6]2H)	108.1526	0.169	7	108.1526	0.029	7	108.9085	0.502	73	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]2H)	108.5730	0.027	2	108.5730	0.001	2	108.8162	0.036	6	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	108.9377	0.025	4	108.9377	0.001	4	108.8162	0.036	6	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	108.3430	0.035	4	108.3430	0.001	4	108.5278	0.816	33	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]2H)	109.6407	0.019	4	109.1657	0.200	11	108.5278	0.816	33	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	108.8943	0.310	7	109.1657	0.200	11	108.5278	0.816	33	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	108.7758	0.152	8	108.7758	0.023	8	108.5278	0.816	33	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	108.2875	0.023	2	108.2875	0.001	2	108.5278	0.816	33	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]2H)	106.4460	0.130	2	106.3755	0.012	4	108.5278	0.816	33	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|H<1>,2|C<3>}	H(CC[6]2H)	106.3050	0.007	2	106.3755	0.012	4	108.5278	0.816	33	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])2(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	108.7352	0.018	4	108.7352	0.000	4	108.5278	0.816	33	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[3x6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]C[6]H)	108.9205	0.610	4	108.9205	0.372	4	108.9205	0.372	4	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6a]C[6]H)	108.5945	0.047	4	108.5945	0.002	4	108.4997	0.023	6	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	H(CC[6a]C[6]H)	108.3100	0.027	2	108.3100	0.001	2	108.4997	0.023	6	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|N<3>,2|H<1>,4|C<3>}	H(CC[6a]C[6]H)	108.7390	0.034	2	108.7390	0.001	2	108.7390	0.001	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]C[6]H)	109.6770	0.467	7	109.6770	0.218	7	109.5563	0.221	9	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]C[6]H)	109.1340	0.034	2	109.1340	0.001	2	109.5563	0.221	9	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C[6]H)	108.6975	0.052	2	108.6975	0.003	2	108.9375	1.045	18	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]C[6]H)	108.8051	0.043	7	108.8051	0.002	7	108.9375	1.045	18	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6a]C[6]H)	108.7770	0.008	2	108.6630	0.018	4	108.9375	1.045	18	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[6]H)	108.5490	0.025	2	108.6630	0.018	4	108.9375	1.045	18	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.5898	2.269	4	109.5898	5.146	4	108.9375	1.045	18	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.8330	0.000	1	108.8330	0.000	1	108.9375	1.045	18	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](N[6]C[6]Au)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](N[6]C[6]Au)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.8255	0.015	2	109.8255	0.000	2	108.6547	1.150	8	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.2645	0.938	6	108.2645	0.879	6	108.6547	1.150	8	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:Ge[4]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Ge[4]N[4]2)(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CGe[4]HH)	H(CGe[4]C[6]H)	C(C[6]C[6]N[6])(Ge[4]N[4]2)(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CGe[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	H(CGe[4]C[6]H)	109.3040	0.014	2	109.3040	0.000	2	109.3040	0.000	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(NHS)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN)	H(CC[6]HN)	C(C[6]C[6,6]C[6])(NHS)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN){1|O<2>,3|H<1>,4|C<4>}	H(CC[6]HN)	109.2900	0.011	2	109.2900	0.000	2	109.2900	0.000	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<4>,2|C<3>}	H(CC[6]HN)	109.2537	0.219	4	109.2537	0.048	4	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Cd<5>,1|C<3>,1|H<1>}	H(CC[6]HN)	108.8985	0.023	2	109.2148	0.085	11	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Fe<6>,1|C<3>,1|H<1>}	H(CC[6]HN)	109.2851	0.274	9	109.2148	0.085	11	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	H(CC[6]HN)	109.2050	0.018	2	109.2050	0.000	2	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.8022	0.448	6	108.7008	0.089	55	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Co<6>,1|C<3>,1|H<1>}	H(CC[6]HN)	108.5295	0.013	2	108.7008	0.089	55	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ni<6>,1|C<3>,1|H<1>}	H(CC[6]HN)	108.7153	0.229	18	108.7008	0.089	55	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ru<6>,1|C<3>,1|H<1>}	H(CC[6]HN)	109.1647	0.310	4	108.7008	0.089	55	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<4>,1|C<3>,1|H<1>}	H(CC[6]HN)	108.7640	0.263	4	108.7008	0.089	55	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<5>,1|C<3>,1|H<1>}	H(CC[6]HN)	108.3895	0.012	2	108.7008	0.089	55	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<6>,1|C<3>,1|H<1>}	H(CC[6]HN)	108.5949	0.236	19	108.7008	0.089	55	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	108.7962	0.431	9	108.7367	0.222	27	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	H(CC[6]HN)	108.7069	0.499	18	108.7367	0.222	27	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.0000	0.473	6	109.0000	0.223	6	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	H(CC[6]HN)	108.4287	0.150	6	108.4287	0.022	6	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN){1|O<1>,2|C<3>}	H(CC[6]HN)	109.6420	0.020	2	109.6420	0.000	2	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]Pd)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]Pd)(CHHN){1|O<1>,2|C<3>}	H(CC[6]HN)	107.9430	0.004	2	107.9430	0.000	2	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6](C[6]C[6]H)2(CHHN){1|C<2>,2|H<1>}	H(CC[6]HN)	109.9410	5.459	2	109.4310	10.281	4	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	H(CC[6]HN)	108.9210	0.054	2	109.4310	10.281	4	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NFeC)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NFeC)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<3>,1|H<1>}	H(CC[6]HN)	109.0820	0.000	1	109.0820	0.000	1	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NPP)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NPP)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	H(CC[6]HN)	107.9380	0.093	2	107.9380	0.009	2	108.8004	0.450	122	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.7314	0.475	60	108.7314	0.225	60	108.8126	0.708	114	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.9042	0.171	11	108.7957	0.582	21	108.8126	0.708	114	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.6764	1.109	10	108.7957	0.582	21	108.8126	0.708	114	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCS)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCS)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3038	0.216	4	109.3038	0.047	4	108.8126	0.708	114	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCV)(H)2	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCV)(H)2	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.1745	6.346	2	108.1745	40.275	2	108.8126	0.708	114	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.5598	0.049	4	108.5598	0.002	4	108.8126	0.708	114	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.5012	0.151	5	108.5012	0.023	5	108.8126	0.708	114	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.8787	0.374	9	108.8787	0.140	9	108.8126	0.708	114	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.9398	0.178	4	108.9398	0.032	4	108.8126	0.708	114	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]V)(H)2	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]V)(H)2	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.5945	0.028	2	109.5945	0.001	2	108.8126	0.708	114	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeC)(H)2	C[6](C[6]C[6]Fe)(N[6]C[6]C)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeC)(H)2	C[6](C[6]C[6]Fe)(N[6]C[6]C)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	110.9225	0.353	2	110.9225	0.125	2	108.8126	0.708	114	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NHS)(H)2	C[6](C[6]C[6]O)(N[6]C[6]C)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NHS)(H)2	C[6](C[6]C[6]O)(N[6]C[6]C)(CHHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HN)	109.0250	0.000	1	109.0250	0.000	1	108.8126	0.708	114	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(NC[6]C)(H)2	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]N[5,6]C[6])(NC[6]C)(H)2	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>,3|O<2>}	H(CC[6]HN)	109.3210	0.020	2	109.3210	0.000	2	109.3210	0.000	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[6,6]C[6])(NCC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(CHHN)	H(CC[6]HN)	C(C[6]N[6,6]C[6])(NCC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(CHHN){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(CC[6]HN)	108.6135	0.022	2	108.6135	0.000	2	108.6135	0.000	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NAlC)(H)2	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NAlC)(H)2	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.7895	0.016	4	109.7895	0.000	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NAlP)(H)2	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NAlP)(H)2	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.9120	0.000	1	109.9120	0.000	1	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.4560	0.826	2	109.4560	0.682	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.8395	0.073	2	108.8395	0.005	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.9928	0.684	49	108.9863	0.448	52	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.8797	0.400	3	108.9863	0.448	52	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.9960	0.231	2	108.9960	0.053	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.4288	0.709	27	108.4288	0.502	27	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.4258	0.611	32	108.4258	0.374	32	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.0570	0.023	2	108.9828	0.006	6	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.9458	0.071	4	108.9828	0.006	6	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.8500	0.000	1	108.6302	0.044	9	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.6028	0.206	8	108.6302	0.044	9	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3176	0.279	11	109.3176	0.078	11	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.8836	0.303	8	108.8836	0.092	8	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1250	0.024	2	109.1250	0.001	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.5915	0.006	2	108.5915	0.000	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.9265	0.055	4	108.9265	0.003	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCP)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCP)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.8349	0.391	7	108.8349	0.153	7	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCP)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCP)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.9458	0.276	8	108.9458	0.076	8	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCS)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCS)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.0817	0.134	4	109.0817	0.018	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCS)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCS)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1502	0.100	4	109.1502	0.010	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[5,6]Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5,6]Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.0595	0.005	2	109.0595	0.000	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[5]Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5]Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2975	0.009	2	109.2975	0.000	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.7185	0.364	10	109.7559	0.101	14	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.8492	0.158	4	109.7559	0.101	14	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[5]Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5]Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.8418	0.106	4	109.8418	0.011	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.0137	0.128	3	109.0137	0.016	3	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.7115	0.185	4	108.7115	0.034	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Cr)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Cr)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3705	0.146	8	109.3705	0.021	8	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2805	0.066	6	109.2805	0.004	6	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]N)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]N)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.0685	0.028	2	108.0685	0.001	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2550	0.051	2	109.2550	0.003	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.4908	0.360	4	109.2887	0.177	6	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.8845	0.080	2	109.2887	0.177	6	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Pt)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Pt)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.4232	0.856	5	108.4232	0.732	5	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.9673	0.090	18	109.9323	0.015	22	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.8850	0.020	2	109.9323	0.015	22	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.6645	0.045	2	109.9323	0.015	22	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCdC)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCdC)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.8210	0.037	3	108.8210	0.001	3	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoC)(H)2	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoC)(H)2	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	109.0823	0.115	4	109.0823	0.013	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.3770	0.390	4	109.7731	0.245	8	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	110.1693	0.036	4	109.7731	0.245	8	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCrC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCrC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.0667	1.629	4	108.0667	2.652	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	110.1585	0.043	2	109.6517	0.331	41	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.6229	0.594	37	109.6517	0.331	41	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6]HN)	109.6775	0.019	2	109.6517	0.331	41	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	110.2632	0.087	4	109.7908	0.259	8	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3183	0.036	4	109.7908	0.259	8	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuP)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuP)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.4395	0.010	4	109.4395	0.000	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.5442	0.846	39	109.5442	0.716	39	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	107.6789	5.701	6	108.8101	12.692	16	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	110.1123	0.053	8	108.8101	12.692	16	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	106.9950	0.033	2	108.8101	12.692	16	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NLiC)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NLiC)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	107.1930	0.962	2	107.1930	0.925	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	111.8630	1.133	2	111.8630	1.283	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.0865	0.030	2	109.4316	0.134	21	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.4679	0.366	19	109.4316	0.134	21	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.1603	5.882	4	109.1603	34.603	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiS)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiS)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3047	0.025	4	109.3047	0.001	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NOsC)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NOsC)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3230	0.008	2	109.3230	0.000	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPdC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPdC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.4813	0.178	4	109.4475	0.049	14	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPdC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPdC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.4340	0.243	10	109.4475	0.049	14	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPdP)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPdP)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.2775	0.633	4	109.3007	0.619	8	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPdP)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPdP)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.7760	0.006	2	109.3007	0.619	8	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPdP)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPdP)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.8720	1.519	2	109.3007	0.619	8	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPtC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPtC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	110.1625	0.015	2	110.1625	0.000	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NReC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NReC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.4215	0.035	2	109.4215	0.001	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRhC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRhC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.7751	0.542	8	108.7751	0.294	8	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.0680	0.000	1	110.2330	31.369	7	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	110.4272	6.110	6	110.2330	31.369	7	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.5730	0.018	2	109.5730	0.000	2	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NSiH)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NSiH)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.9640	0.125	4	108.9640	0.016	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NSnC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NSnC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.1947	0.169	4	108.1947	0.029	4	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3340	0.377	26	109.3340	0.142	26	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	107.8343	4.324	6	107.8343	18.696	6	109.1778	1.664	512	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Cu<6>,1|C<3>,1|H<1>}	H(CC[6]N[5]H)	109.7655	0.085	4	109.2738	0.309	8	109.1628	0.379	36	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Zn<4>,1|C<3>,1|H<1>}	H(CC[6]N[5]H)	108.7820	0.261	4	109.2738	0.309	8	109.1628	0.379	36	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)2(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)2(CN[5]HH){1|C<4>,2|H<1>}	H(CC[6]N[5]H)	108.8920	0.066	2	109.0472	0.054	10	109.1628	0.379	36	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)2(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	H(CC[6]N[5]H)	109.0860	0.247	8	109.0472	0.054	10	109.1628	0.379	36	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	109.1244	0.713	16	109.1244	0.509	16	109.1628	0.379	36	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]N[6]H)(C[6]N[6]O)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	109.6040	1.529	2	109.6040	2.337	2	109.1628	0.379	36	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.4100	0.016	2	109.4100	0.000	2	109.3778	0.003	4	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.3455	0.077	2	109.3455	0.006	2	109.3778	0.003	4	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6]N[5]H)	109.0125	0.995	2	109.0125	0.990	2	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.4115	0.006	2	109.4115	0.000	2	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.4005	0.098	4	109.3068	0.075	9	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.2318	0.357	5	109.3068	0.075	9	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.0988	0.298	18	109.0762	0.094	19	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6]N[5]H)	108.6680	0.000	1	109.0762	0.094	19	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.4855	0.266	4	108.3548	0.175	12	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	108.0770	0.310	6	108.3548	0.175	12	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6]N[5]H)	108.9270	0.221	2	108.3548	0.175	12	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.3980	0.034	2	109.3980	0.001	2	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.6047	0.011	3	109.0564	0.286	13	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.2470	0.663	4	109.0564	0.286	13	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6]N[5]H)	108.6552	0.140	6	109.0564	0.286	13	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.2388	3.575	6	109.2388	12.780	6	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.2641	0.370	16	109.3187	0.249	73	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.3341	0.532	57	109.3187	0.249	73	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.0348	0.047	4	109.0348	0.002	4	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.2200	0.023	2	109.2200	0.001	2	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	108.4785	1.042	2	108.4785	1.085	2	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.0355	0.517	13	109.1473	0.166	33	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N[5]H)	108.8805	0.031	4	109.1473	0.166	33	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.3048	0.289	16	109.1473	0.166	33	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.6550	0.018	2	109.6550	0.000	2	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.0615	0.053	4	109.0615	0.003	4	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N[5]H)	109.1865	0.009	2	109.1865	0.000	2	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.7493	0.514	11	108.6906	0.241	13	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6]N[5]H)	108.3680	0.007	2	108.6906	0.241	13	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.1533	0.091	3	108.7735	0.116	15	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.1670	0.018	2	108.7735	0.116	15	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6]N[5]H)	108.5808	0.236	10	108.7735	0.116	15	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.2045	0.026	2	109.2045	0.001	2	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.0718	0.158	6	108.9698	0.032	18	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	108.9188	0.170	12	108.9698	0.032	18	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.9998	0.213	14	109.2572	0.113	26	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.5576	0.146	12	109.2572	0.113	26	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.8499	0.328	8	109.4696	0.241	16	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.0894	0.281	8	109.4696	0.241	16	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.0771	0.336	12	109.0771	0.113	12	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N[5]H)	109.2850	0.034	2	109.2850	0.001	2	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	108.8680	0.047	2	108.8680	0.002	2	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	108.8640	0.094	3	108.8640	0.009	3	109.1261	0.438	296	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5a]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5a]C[5a]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH)	H(CN[5a]C[6]H)	C(C[6]C[6]N[6])(N[5a]C[5a]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH){1|H<1>,2|C<3>}	H(CN[5a]C[6]H)	108.8365	0.006	2	108.8365	0.000	2	108.8365	0.000	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6]N[6]H)	109.8343	0.103	6	109.8200	0.008	8	109.8200	0.008	8	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]N[6]H)	109.7770	0.025	2	109.8200	0.008	8	109.8200	0.008	8	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[6]HH){1|H<1>,1|N<3>,1|O<2>}	H(CC[6]N[6]H)	109.2045	0.043	2	109.2045	0.002	2	109.8236	2.234	70	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	H(CC[6]N[6]H)	109.6463	1.031	60	109.6463	1.064	60	109.8236	2.234	70	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[6]HH){1|C<3>,1|C<4>}	H(CC[6]N[6]H)	111.3081	3.186	8	111.3081	10.153	8	109.8236	2.234	70	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]N[6]H)	109.7020	0.048	4	109.7020	0.002	4	109.7020	0.002	4	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6,6a]2)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6,6a]2)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[6]H)	109.0080	0.028	2	109.0080	0.001	2	108.8966	0.341	10	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[6]H)	108.9300	0.013	2	108.9300	0.000	2	108.8966	0.341	10	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[6]H)	107.8775	0.022	2	107.8775	0.000	2	108.8966	0.341	10	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[6]H)	109.3338	0.257	4	109.3338	0.066	4	108.8966	0.341	10	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6a]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6a]HH)	H(CN[6a]C[6]H)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6a]HH){1|C<3>,2|H<1>}	H(CN[6a]C[6]H)	109.3645	0.164	4	109.3645	0.027	4	109.3321	0.033	8	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6a]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6a]HH)	H(CN[6a]C[6]H)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6a]HH){1|C<3>,2|H<1>}	H(CN[6a]C[6]H)	109.4895	0.028	2	109.4895	0.001	2	109.3321	0.033	8	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6a]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6a]HH)	H(CN[6a]C[6]H)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6a]HH){1|C<3>,2|H<1>}	H(CN[6a]C[6]H)	109.1100	0.016	2	109.1100	0.000	2	109.3321	0.033	8	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OCuH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OCuH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HO)	109.6050	0.007	2	109.6050	0.000	2	109.8160	1.530	4	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OFe2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OFe2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HO)	110.0270	2.100	2	110.0270	4.410	2	109.8160	1.530	4	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC[5]Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[5]Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.7164	0.573	8	109.7164	0.328	8	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC[6]Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6]Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.7398	0.493	4	109.7398	0.243	4	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC[6a]Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6a]Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	110.2870	0.027	2	110.2870	0.001	2	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCaH)(H)2	C[6](N[6]C[6,6a]Ca)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCaH)(H)2	C[6](N[6]C[6,6a]Ca)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	109.6342	0.083	5	109.6342	0.007	5	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCaH)(H)2	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCaH)(H)2	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.4725	0.047	2	109.4725	0.002	2	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCdC)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCdC)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.9267	0.132	4	109.9267	0.018	4	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCo2)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCo2)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.7060	0.018	2	109.7060	0.000	2	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HO)	111.8605	3.624	2	110.4022	1.780	12	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	110.1105	0.386	10	110.4022	1.780	12	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.5745	0.200	22	109.5609	0.072	28	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	108.9270	0.061	2	109.5609	0.072	28	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	109.8032	0.148	4	109.5609	0.072	28	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCr2)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCr2)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	110.1027	0.926	11	110.1027	0.858	11	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCu2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCu2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.8795	0.005	2	109.7655	0.017	4	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCu2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCu2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.6515	0.012	2	109.7655	0.017	4	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCuC)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCuC)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	109.9610	0.007	2	109.9610	0.000	2	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.6457	0.269	4	109.9700	0.216	7	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	110.4023	0.223	3	109.9700	0.216	7	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.3048	0.152	10	109.5248	0.111	20	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.5060	0.120	6	109.5248	0.111	20	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	110.1030	0.045	4	109.5248	0.111	20	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	110.1005	0.028	2	110.0816	0.010	10	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HO)	110.1015	0.069	2	110.0816	0.010	10	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	110.0687	0.128	6	110.0816	0.010	10	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OFeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OFeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.7236	0.262	11	109.7736	0.057	15	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OFeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OFeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	109.9110	0.032	4	109.7736	0.057	15	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OMgC)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMgC)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.8754	0.232	8	109.8754	0.054	8	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OMn2)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMn2)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.3148	0.246	5	109.3148	0.061	5	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OMnB)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMnB)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.6250	0.030	2	109.6250	0.001	2	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OMnC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMnC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	110.0155	0.136	2	110.0155	0.019	2	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OMnH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMnH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	108.7012	1.383	6	109.2278	0.986	14	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OMnH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMnH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.6227	0.221	8	109.2278	0.986	14	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OMoC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMoC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	108.7725	0.957	4	108.7725	0.915	4	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.3569	0.082	10	109.5866	0.135	34	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.6820	0.437	20	109.5866	0.135	34	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	109.6838	0.016	4	109.5866	0.135	34	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OReH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OReH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.1510	0.076	2	109.1510	0.006	2	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ORhC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ORhC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.4027	0.052	4	109.4027	0.003	4	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ORu2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ORu2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.3440	0.130	3	109.3440	0.017	3	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ORuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ORuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.7905	0.015	2	109.5080	0.108	4	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ORuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ORuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.2255	0.077	2	109.5080	0.108	4	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ORuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ORuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	110.6208	1.223	4	110.6208	1.496	4	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OZn2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OZn2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.2290	0.040	4	109.2290	0.002	4	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OZnH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OZnH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6]HO)	109.7025	0.068	4	109.7025	0.005	4	109.6918	0.389	230	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:P-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	108.2107	0.292	3	108.5356	0.371	5	109.1222	0.518	11	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:P-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.0230	0.723	2	108.5356	0.371	5	109.1222	0.518	11	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:P-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	110.0335	0.015	2	110.0335	0.000	2	109.1222	0.518	11	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:P-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]HP)	109.3997	0.041	4	109.3997	0.002	4	109.1222	0.518	11	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]H)2(CHHS)	H(CC[6]HS)	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]H)2(CHHS){1|C<3>,1|H<1>}	H(CC[6]HS)	113.6260	0.165	2	113.6260	0.027	2	109.8427	9.342	6	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(SC[6a]O)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CHHS)	H(CC[6]HS)	C(C[6]C[6]2)(SC[6a]O)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CHHS){3|C<3>}	H(CC[6]HS)	107.9510	1.117	4	107.9510	1.247	4	109.8427	9.342	6	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]V)(H)2	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]V)(H)2	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.6135	0.039	4	108.6135	0.002	4	108.6135	0.002	4	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SAgC)(H)2	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SAgC)(H)2	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.7940	1.089	4	108.7940	1.185	4	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.7657	0.188	4	108.7657	0.035	4	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.2500	1.118	4	109.2500	1.251	4	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.9000	1.803	6	109.1835	1.112	17	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HS)	109.3550	0.300	7	109.1835	1.112	17	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6]HS)	109.3088	0.282	4	109.1835	1.112	17	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HS)	109.0500	0.011	2	109.1243	0.008	4	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6]HS)	109.1985	0.040	2	109.1243	0.008	4	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Ir)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Ir)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	109.2150	0.234	6	109.2150	0.055	6	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	105.9310	8.403	4	108.1703	13.201	19	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HS)	108.7898	0.193	10	108.1703	13.201	19	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	108.7182	0.130	4	108.1703	13.201	19	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6]HS)	108.7400	0.000	1	108.1703	13.201	19	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.7741	0.204	15	108.8602	0.062	19	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6]HS)	109.1830	0.032	4	108.8602	0.062	19	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Rh)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Rh)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	108.9687	0.078	6	108.9687	0.006	6	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	109.2531	0.143	7	109.2531	0.020	7	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SCdC)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCdC)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	108.7591	0.828	14	108.7591	0.685	14	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SCoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.8699	0.364	11	108.8699	0.132	11	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SCrC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCrC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.0177	0.706	12	109.0177	0.499	12	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.6760	0.471	14	108.9328	0.486	34	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	109.2879	0.770	16	108.9328	0.486	34	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<4>,2|C<3>}	H(CC[6]HS)	108.4110	0.268	4	108.9328	0.486	34	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]N[6]C)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]N[6]C)(CHHS){1|Cu<5>,1|C<3>,1|C<4>}	H(CC[6]HS)	108.4700	0.018	3	108.4700	0.000	3	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SFe2)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SFe2)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	109.0290	0.065	4	109.0290	0.004	4	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SFeC)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SFeC)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6]HS)	109.5503	0.265	4	109.5503	0.070	4	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	108.5791	0.533	16	108.5791	0.284	16	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SHgC)(H)2	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SHgC)(H)2	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.4622	0.476	4	108.4622	0.227	4	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SIrC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SIrC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.6433	0.115	3	108.6433	0.013	3	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SMnC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SMnC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.0576	0.186	17	109.0576	0.035	17	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SNiC)(H)2	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SNiC)(H)2	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6]HS)	108.4921	0.249	15	108.4921	0.062	15	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SNiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SNiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	108.7755	1.240	24	108.6336	1.144	34	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SNiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SNiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	108.2931	0.289	10	108.6336	1.144	34	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SPt2)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SPt2)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	110.8350	0.013	2	110.8350	0.000	2	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SPtC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SPtC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.7263	0.216	4	110.7759	2.692	8	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SPtC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SPtC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	111.8255	1.816	4	110.7759	2.692	8	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SReC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SReC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	108.6566	0.330	13	108.6566	0.109	13	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SRu2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SRu2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.1292	0.028	4	109.1292	0.001	4	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SRuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SRuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.3525	0.493	4	109.0191	0.238	8	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SRuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SRuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	108.6857	0.124	4	109.0191	0.238	8	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	107.9223	0.239	4	108.0805	0.095	6	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6]HS)	108.3970	0.037	2	108.0805	0.095	6	108.8698	1.421	302	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:Se-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SeC[6a]Ir)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC[6a]Ir)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6]SeH)	109.2425	0.064	2	109.2425	0.004	2	108.8289	0.165	30	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:Se-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SeC[6a]Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC[6a]Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CSeHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]SeH)	108.8938	0.381	12	108.8938	0.145	12	108.8289	0.165	30	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:Se-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SeC[6a]Rh)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC[6a]Rh)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6]SeH)	109.0525	0.136	2	109.0525	0.019	2	108.8289	0.165	30	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:Se-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SeC[6a]Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC[6a]Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6]SeH)	109.4525	0.056	2	109.4525	0.003	2	108.8289	0.165	30	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:Se-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SeCdC)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeCdC)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6]SeH)	108.4681	0.320	8	108.4681	0.102	8	108.8289	0.165	30	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:Se-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SeRuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSeHH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeRuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6]SeH)	108.7252	0.168	4	108.7252	0.028	4	108.8289	0.165	30	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:Si[4]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Si[4]N[4]2)(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH)	H(CSi[4]C[6]H)	C(C[6]C[6]N[6])(Si[4]N[4]2)(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	H(CSi[4]C[6]H)	110.7565	0.182	2	110.7565	0.033	2	110.7565	0.033	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	H(CC[6a]C[6]H)	109.4450	0.011	2	109.4450	0.000	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	H(CC[6a]C[6]H)	108.9565	0.012	2	108.9565	0.000	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	H(CC[6a]C[6]H)	108.2835	0.033	2	108.2835	0.001	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]C[6]H)	107.8655	0.018	2	107.8655	0.000	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.0590	0.017	2	109.0590	0.000	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	H(CC[6a]C[6]H)	107.4075	2.664	2	107.4075	7.095	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,2|C<3>}	H(CC[6a]C[6]H)	108.6745	0.046	4	108.6745	0.002	4	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]C[6]H)	108.2040	0.010	2	108.6590	0.601	4	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){2|H<1>,3|C<4>}	H(CC[6a]C[6]H)	109.1140	0.987	2	108.6590	0.601	4	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]C[6]H)	108.8475	0.036	2	108.8475	0.001	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]C[6]H)	109.0900	0.014	2	109.0900	0.000	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|C<7>}	H(CC[6a]C[6]H)	109.0907	0.098	4	109.0304	0.276	157	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]H)	108.8263	0.423	64	109.0304	0.276	157	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]C[6]H)	108.7629	0.580	29	109.0304	0.276	157	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]C[6]H)	109.6675	0.011	2	109.0304	0.276	157	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]C[6]H)	109.4137	0.324	49	109.0304	0.276	157	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]C[6]H)	109.0890	0.746	9	109.0304	0.276	157	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[6]H)	109.7000	0.000	1	109.7000	0.000	1	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH){1|N<2>,1|O<1>}	H(CC[6a]C[6]H)	112.1650	6.176	2	112.1650	38.141	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]C[6]H)	108.7750	0.018	2	108.7750	0.000	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	H(CC[6a]C[6]H)	108.6347	0.534	28	108.6447	0.281	30	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[6a]HH){2|Br<1>,1|C<3>}	H(CC[6a]C[6]H)	108.7850	0.624	2	108.6447	0.281	30	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	H(CC[6a]C[6]H)	108.7303	0.172	6	108.6173	0.114	7	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH){2|C<3>,2|C<4>}	H(CC[6a]C[6]H)	107.9390	0.000	1	108.6173	0.114	7	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CC[6a]HH){1|H<1>,5|C<3>}	H(CC[6a]C[6]H)	107.8470	0.059	2	107.8470	0.004	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.2680	0.027	2	108.2680	0.001	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]C[6]H)	108.4192	1.316	51	108.4178	1.668	53	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|Ru<9>,1|C<3>}	H(CC[6a]C[6]H)	108.3820	0.437	2	108.4178	1.668	53	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.3055	0.039	2	108.3055	0.002	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH){1|C<4>}	H(CC[6a]C[6]H)	108.3145	0.035	2	108.3145	0.001	2	108.8305	0.836	284	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]H)	108.8753	0.158	6	108.8753	0.025	6	108.8753	0.025	6	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	H(CC[6a]C[6]H)	109.2640	0.127	2	109.2640	0.016	2	109.2640	0.016	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CN[5]HH)	H(CC[6]N[5]H)	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|C<3>}	H(CC[6]N[5]H)	108.7583	0.482	8	108.7583	0.232	8	109.1178	0.283	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Fe<6>,1|C<3>,1|H<1>}	H(CC[6]N[5]H)	109.4295	0.313	6	109.4295	0.098	6	109.1178	0.283	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CN[5]HH)	H(CC[6]N[5]H)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	H(CC[6]N[5]H)	109.6210	0.007	2	109.6210	0.000	2	109.1178	0.283	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	108.8455	0.006	2	108.8455	0.000	2	108.8455	0.000	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6]N[5]H)	108.6713	0.627	4	108.6713	0.393	4	109.1325	0.241	28	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.9335	0.112	4	109.9335	0.013	4	109.1325	0.241	28	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.4742	0.312	5	109.4742	0.097	5	109.1325	0.241	28	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N[5]H)	108.9194	0.174	7	108.9005	0.017	13	109.1325	0.241	28	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	108.8783	0.055	6	108.9005	0.017	13	109.1325	0.241	28	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.1075	0.026	2	109.1075	0.001	2	109.1325	0.241	28	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6]C[5a])(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH){1|H<1>,4|C<3>}	H(CN[5a]C[6]H)	108.6890	1.024	2	108.6890	1.048	2	108.6890	1.048	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|Zn<6>,1|C<3>,1|H<1>}	H(CN[5a]C[6]H)	109.2405	0.054	2	109.2405	0.003	2	108.8809	0.116	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CN[5a]HH){1|C<2>,2|H<1>}	H(CN[5a]C[6]H)	108.5872	0.296	4	108.5872	0.087	4	108.8809	0.116	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CN[5a]C[6]H)	109.1655	0.021	2	109.1395	0.001	4	108.8809	0.116	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|Zn<4>,1|C<3>,1|H<1>}	H(CN[5a]C[6]H)	109.1135	0.023	2	109.1395	0.001	4	108.8809	0.116	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CN[5a]HH){1|N<3>,2|H<1>}	H(CN[5a]C[6]H)	108.7410	0.419	4	108.7410	0.176	4	108.8809	0.116	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CN[5a]HH){1|C<3>,1|H<1>,1|N<3>}	H(CN[5a]C[6]H)	108.8715	0.013	2	108.8715	0.000	2	108.8809	0.116	16	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CN[5a]C[6]H)	109.2065	0.011	2	109.2065	0.000	2	109.2065	0.000	2	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CN[5a]C[6]H)	109.2620	0.044	2	109.2620	0.002	2	109.1131	0.043	14	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CN[5a]C[6]H)	109.1380	0.013	2	109.1380	0.000	2	109.1131	0.043	14	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CN[5a]C[6]H)	109.3050	0.190	4	109.3050	0.036	4	109.1131	0.043	14	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CN[5a]C[6]H)	108.8670	0.006	4	108.8670	0.000	4	109.1131	0.043	14	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5a]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CN[5a]C[6]H)	109.0475	0.006	2	109.0475	0.000	2	109.1131	0.043	14	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6a]HH)	H(CN[6a]C[6]H)	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6a]HH){1|Cd<4>,1|C<3>,1|H<1>}	H(CN[6a]C[6]H)	109.3923	0.228	3	109.3923	0.052	3	109.3923	0.052	3	109.0859	1.092	2481	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:C-4:N[6]-2:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]N[6])	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]N[6]){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[6]H)	108.6830	0.031	2	108.6830	0.001	2	108.6830	0.001	2	108.2878	2.117	11	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:C-4:O[6]-2:	C-4:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]H)(CC[6a]HH)(O[6]C[6])	H(CC[6a]C[6]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]H)(CC[6a]HH)(O[6]C[6]){1|S<1>,2|C<3>}	H(CC[6a]C[6]H)	108.6860	0.000	1	108.6860	0.000	1	108.8653	0.024	3	108.2878	2.117	11	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:C-4:O[6]-2:	C-4:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]H)(CC[6a]HH)(O[6]C[6])	H(CC[6a]C[6]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]H)(CC[6a]HH)(O[6]C[6]){1|H<1>,1|S<4>,2|C<4>}	H(CC[6a]C[6]H)	108.9550	0.013	2	108.9550	0.000	2	108.8653	0.024	3	108.2878	2.117	11	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C-4:C[6]-2:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){1|C<3>,2|C<4>}	H(CC[6a]C[6]H)	107.9415	1.993	2	107.8673	3.749	6	107.8673	3.749	6	108.2878	2.117	11	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C-4:C[6]-2:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){2|Br<1>,1|C<3>}	H(CC[6a]C[6]H)	107.8303	2.218	4	107.8673	3.749	6	107.8673	3.749	6	108.2878	2.117	11	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(NCS)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN)	H(CC[6]HN)	C(C[6]C[5,6]C[6])(NCS)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(CC[6]HN)	109.6780	0.035	2	109.6780	0.001	2	109.6780	0.001	2	109.5113	0.048	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CN[6]HH){1|C<3>,1|C<4>}	H(CC[6]N[6]H)	109.3445	0.177	2	109.3445	0.032	2	109.3445	0.032	2	109.5113	0.048	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH)	H(CC[5a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH){1|C<4>,3|C<3>,3|H<1>}	H(CC[5a]C[6]H)	108.0720	0.054	2	108.0720	0.003	2	108.0720	0.003	2	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH)	H(CC[5a]C[6]H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH){4|C<3>}	H(CC[5a]C[6]H)	108.8655	0.022	2	108.8655	0.000	2	108.8655	0.000	2	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[3,6]C[6])(CCH)(H)2	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH)	H(CC[6]CH)	C(C[6]C[3,6]C[6])(CCH)(H)2	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>}	H(CC[6]CH)	108.6860	0.006	2	108.6860	0.000	2	108.6860	0.000	2	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	H(CC[6]CH)	108.9220	0.018	2	108.9220	0.000	2	109.9565	1.726	10	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	H(CC[6]CH)	108.6290	0.011	2	108.6290	0.000	2	109.9565	1.726	10	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH){1|H<1>,1|S<4>,2|C<4>}	H(CC[6]CH)	110.3700	0.134	2	110.3700	0.018	2	109.9565	1.726	10	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CNO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CNO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	109.7385	0.036	2	109.7385	0.001	2	109.9565	1.726	10	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	H(CC[6]CH)	112.1230	0.148	2	112.1230	0.022	2	109.9565	1.726	10	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	H(CC[6]2H)	108.6089	0.453	38	108.5735	0.205	46	108.5735	0.205	46	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH){1|C<4>,2|C<3>}	H(CC[6]2H)	108.4049	0.446	8	108.5735	0.205	46	108.5735	0.205	46	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(CC[6a]C[6]H)	109.0910	0.006	2	109.0910	0.000	2	109.0910	0.000	2	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[3,6]C[6])(NC[6a]C)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[3,6]C[6])(NC[6a]C)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN){2|C<3>,3|H<1>}	H(CC[6]HN)	109.8515	0.005	2	109.8515	0.000	2	109.8515	0.000	2	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.8270	0.148	2	108.8270	0.022	2	108.9964	0.241	9	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,3|H<1>}	H(CC[6]HN)	108.5040	0.031	2	108.8377	0.149	4	108.9964	0.241	9	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<4>,4|H<1>}	H(CC[6]HN)	109.1715	0.039	2	108.8377	0.149	4	108.9964	0.241	9	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]HN)	109.7265	0.015	2	109.7265	0.000	2	108.9964	0.241	9	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NOO)(H)2	C[6](C[6]C[6]HS)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NOO)(H)2	C[6](C[6]C[6]HS)(C[6]C[6]H)(CHHN){1|C<4>,4|H<1>}	H(CC[6]HN)	108.5100	0.000	1	108.5100	0.000	1	108.9964	0.241	9	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH){1|C<3>,3|H<1>}	H(CC[6]N[5]H)	109.1025	0.021	2	109.1025	0.000	2	109.1025	0.000	2	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[6]H)	106.6980	0.964	2	106.6980	0.930	2	107.6623	1.550	4	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|C<4>}	H(CC[6]N[6]H)	108.6265	0.035	2	108.6265	0.001	2	107.6623	1.550	4	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:O-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(OCU)(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]2)(OCU)(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	H(CC[6]HO)	109.9085	0.277	14	109.9085	0.077	14	109.9085	0.077	14	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:S-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHS){1|C<3>,1|O<2>,2|H<1>}	H(CC[6]HS)	113.7770	2.695	2	113.7770	7.266	2	113.7770	7.266	2	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH){2|C<3>,2|C<4>}	H(CC[6a]C[6]H)	109.1485	0.062	2	109.1485	0.004	2	108.5983	0.467	47	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]HH){2|C<4>,3|H<1>}	H(CC[6a]C[6]H)	108.6415	0.054	2	108.6415	0.003	2	108.5983	0.467	47	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){1|Si<3>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]H)	107.6635	0.013	2	107.6635	0.000	2	108.5983	0.467	47	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]NV)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]NV)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]C[6]H)	108.5384	0.427	8	108.5384	0.182	8	108.5983	0.467	47	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]C[6]H)	109.0525	0.039	2	109.0525	0.002	2	108.5983	0.467	47	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]C[6]H)	109.3096	0.565	8	109.3096	0.319	8	108.5983	0.467	47	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]C[6]H)	108.2440	0.000	1	108.2440	0.000	1	108.5983	0.467	47	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]C[6]H)	107.8964	0.739	8	107.8964	0.546	8	108.5983	0.467	47	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]C[6]H)	108.6390	0.537	4	108.6390	0.288	4	108.5983	0.467	47	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]C[6]H)	109.4400	0.031	2	109.4400	0.001	2	108.5983	0.467	47	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]C[6]H)	108.6740	0.013	2	108.6740	0.000	2	108.5983	0.467	47	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH){1|S<4>,2|H<1>,3|C<3>}	H(CC[6a]C[6]H)	108.3540	0.339	6	108.3540	0.115	6	108.5983	0.467	47	108.9117	1.069	144	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(NPdC)(H)2	C[6](C[6]C[6]HH)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NPdC)(H)2	C[6](C[6]C[6]HH)2(CHHN){1|C<4>,4|H<1>}	H(CC[6]HN)	109.5885	0.067	2	109.5885	0.005	2	109.5885	0.005	2	109.5885	0.005	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:1:1:	6:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[5x3,5x5,21x6]-6:C[4,6]-3:C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6a]C[6a]2)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6a]HH)	H(CC[6a]C[6]H)	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6a]C[6a]2)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6a]HH){1|C<3>,3|C<4>,4|H<1>,5|B<6>}	H(CC[6a]C[6]H)	108.2755	0.021	2	108.2755	0.000	2	108.2755	0.000	2	108.2755	0.000	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CCH)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	H(CC[6]CO)	110.2590	0.170	2	110.2590	0.029	2	109.3792	0.810	5	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCH)(OSi)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CCH)(OSi)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	H(CC[6]CO)	108.4960	0.000	1	108.4960	0.000	1	109.3792	0.810	5	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]H)2(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<2>,2|H<1>}	H(CC[6]CO)	108.4420	0.000	1	108.9410	0.498	2	109.3792	0.810	5	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]H)2(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	H(CC[6]CO)	109.4400	0.000	1	108.9410	0.498	2	109.3792	0.810	5	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:C-3:O-2:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CNO)(OH)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(CNO)(OH)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CO)	108.2640	0.175	2	108.2640	0.031	2	108.2640	0.031	2	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C-2:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]C[6]C)	106.4240	0.000	1	106.4240	0.000	1	106.4240	0.000	1	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:C[6a]-3:O-2:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OC)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OC)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	110.2180	0.000	1	110.2180	0.000	1	110.2180	0.000	1	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:C[6a]-3:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO){1|H<1>,2|C<3>}	H(CC[6a]C[6]O)	108.0660	0.000	1	108.0660	0.000	1	108.0660	0.000	1	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:N-3:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Fe)(OC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNO)	H(CC[6]NO)	C(C[6]C[6]N[6])(NC[6a]Fe)(OC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	H(CC[6]NO)	107.3620	0.000	1	107.3620	0.000	1	107.8370	0.761	4	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:N-3:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]H)(OMo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHNO)	H(CC[6]NO)	C(C[6]C[6]N[6])(NC[6a]H)(OMo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	H(CC[6]NO)	109.0510	0.000	1	109.0510	0.000	1	107.8370	0.761	4	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:N-3:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Ni)(OC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO)	H(CC[6]NO)	C(C[6]C[6]N[6])(NC[6a]Ni)(OC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	H(CC[6]NO)	107.4675	0.556	2	107.4675	0.310	2	107.8370	0.761	4	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:O-3:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OPtC)(OC)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHOO)	H(CC[6]OO)	C(C[6]C[6]N[6])(OPtC)(OC)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHOO){1|C<3>,2|H<1>}	H(CC[6]OO)	108.4940	0.082	2	108.4940	0.007	2	108.4767	0.004	3	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:O-3:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OReC)(OC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHOO)	H(CC[6]OO)	C(C[6]C[6]N[6])(OReC)(OC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHOO){1|C<3>,2|H<1>}	H(CC[6]OO)	108.4420	0.000	1	108.4420	0.000	1	108.4767	0.004	3	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO){1|C<4>,4|H<1>}	H(CC[6a]C[6]O)	106.9290	0.000	1	106.9290	0.000	1	108.5721	1.380	7	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6a]C[6]O)	110.2580	0.000	1	108.8460	1.026	6	108.5721	1.380	7	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>}	H(CC[6a]C[6]O)	108.6160	0.946	4	108.8460	1.026	6	108.5721	1.380	7	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<4>,4|H<1>}	H(CC[6a]C[6]O)	108.3540	0.000	1	108.8460	1.026	6	108.5721	1.380	7	108.5381	1.175	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:4:4:	4:	C[6]-3:C-3:C-2:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CN[5]O)(CN)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CN[5]O)(CN)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH){1|O<1>,2|C<3>,3|C<4>}	H(CC[6]CC)	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	108.3180	0.270	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:4:4:	4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HO){1|S<4>,4|C<3>}	H(CC[6a]C[6]O)	108.4800	0.000	1	108.4800	0.000	1	108.6085	0.033	2	108.3180	0.270	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	3:4:4:	4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(CC[6a]C[6]O)	108.7370	0.000	1	108.7370	0.000	1	108.6085	0.033	2	108.3180	0.270	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	4:3:4:	4:	C[6]-3:C-3:C-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CNO)(CN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CNO)(CN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH){1|C<4>,4|H<1>}	H(CC[6]CC)	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	106.0643	5.705	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	4:3:4:	4:	C[6]-3:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	H(CC[6]CO)	106.3510	1.647	5	106.3510	2.711	5	105.8420	6.294	8	106.0643	5.705	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	4:3:4:	4:	C[6]-3:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]O)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]O)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	H(CC[6]CO)	104.9937	3.858	3	104.9937	14.881	3	105.8420	6.294	8	106.0643	5.705	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:2:1:	4:3:4:	4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HO){1|C<4>,2|H<1>,2|O<2>}	H(CC[6a]C[6]O)	105.3250	0.000	1	105.3250	0.000	1	105.3250	0.000	1	106.0643	5.705	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:2:4:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]2C)	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	109.5697	0.140	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:2:4:	4:	C[6]-3:N-3:N-3:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(NOO)2(H)	C[6](N[6]C[6]N)(N[6]C[6])(CHNN)	H(CC[6]NN)	C(C[6]N[6]2)(NOO)2(H)	C[6](N[6]C[6]N)(N[6]C[6])(CHNN){1|N<3>,4|H<1>}	H(CC[6]NN)	109.4110	0.359	2	109.4110	0.129	2	109.4110	0.129	2	109.5697	0.140	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])2(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CC[5a]2H)	H(CC[5a]2C[6])	C(C[5a]C[5a]S[5a])2(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CC[5a]2H){1|H<1>,2|C<3>}	H(CC[5a]2C[6])	108.0870	0.000	1	108.0870	0.000	1	108.0870	0.000	1	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(COO)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6,6a]C[6])(COO)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]CC)	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH){1|O<1>,4|C<3>}	H(CC[6]CC)	106.8768	0.150	4	106.8768	0.023	4	106.9336	0.033	5	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CNO)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CNO)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH){1|O<1>,4|C<3>}	H(CC[6]CC)	107.1610	0.000	1	107.1610	0.000	1	106.9336	0.033	5	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C-3:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CNO)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CNO)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6]CC)	109.5050	0.269	2	109.5050	0.072	2	108.6230	2.370	3	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C-3:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CNO)2(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CNO)2(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	106.8590	0.000	1	106.8590	0.000	1	108.6230	2.370	3	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C-3:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(COO)(NHS)(H)	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN)	H(CC[6]CN)	C(C[6]C[6]2)(COO)(NHS)(H)	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN){1|C<4>}	H(CC[6]CN)	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]O)2(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	H(CC[6]2C)	104.3224	0.379	14	104.3224	0.144	14	104.6295	1.871	17	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]2)2(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH){1|O<1>,4|C<3>}	H(CC[6]2C)	107.9145	0.037	2	107.9145	0.001	2	104.6295	1.871	17	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]2C)	102.3590	0.000	1	102.3590	0.000	1	104.6295	1.871	17	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])3(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2H)	H(CC[6]3)	C(C[6]C[6]N[6])3(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2H){1|C<3>,2|H<1>}	H(CC[6]3)	107.0288	0.049	8	107.0288	0.002	8	107.4619	0.240	18	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])3(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2H)	H(CC[6]3)	C(C[6]C[6]N[6])3(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2H){1|C<3>,2|H<1>}	H(CC[6]3)	108.5030	0.051	2	108.5030	0.003	2	107.4619	0.240	18	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])3(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2H)	H(CC[6]3)	C(C[6]C[6]N[6])3(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2H){1|C<3>,2|H<1>}	H(CC[6]3)	107.4773	0.066	3	107.4773	0.004	3	107.4619	0.240	18	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])3(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]2H)	H(CC[6]3)	C(C[6]C[6]N[6])3(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]2H){1|C<3>,2|H<1>}	H(CC[6]3)	107.7294	0.075	5	107.7294	0.006	5	107.4619	0.240	18	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(NCH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6]N[6])2(NCH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6]2N)	104.6380	0.228	4	104.6380	0.052	4	106.2354	1.452	12	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(NCH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6]N[6])2(NCH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6]2N)	107.0050	0.062	2	107.0050	0.004	2	106.2354	1.452	12	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(NCH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6]N[6])2(NCH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6]2N)	106.8190	0.014	2	106.8190	0.000	2	106.2354	1.452	12	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(NHS)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6]N[6])2(NHS)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6]2N)	107.1562	0.343	4	107.1562	0.118	4	106.2354	1.452	12	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]2H)	H(CC[6a]2C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]2C[6])	109.2380	0.000	1	109.2380	0.000	1	107.1600	3.309	3	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]2H)	H(CC[6a]2C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.3870	0.000	1	106.3870	0.000	1	107.1600	3.309	3	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6a]2H)	H(CC[6a]2C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6a]2H){1|H<1>,2|C<3>}	H(CC[6a]2C[6])	105.8550	0.000	1	105.8550	0.000	1	107.1600	3.309	3	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.2810	0.000	1	107.2810	0.000	1	107.2663	3.049	9	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HN){1|H<1>,2|C<3>}	H(CC[6a]C[6]N)	102.8300	0.000	1	102.8300	0.000	1	107.2663	3.049	9	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.7000	0.000	1	107.7000	0.000	1	107.2663	3.049	9	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.1625	0.255	2	107.1625	0.065	2	107.2663	3.049	9	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	108.3152	0.103	4	108.3152	0.011	4	107.2663	3.049	9	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:O-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[6]O)	108.3430	0.000	2	108.4412	0.130	5	108.4412	0.130	5	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:O-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.5067	0.494	3	108.4412	0.130	5	108.4412	0.130	5	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:S-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(SCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HS)	H(CC[6a]C[6]S)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(SCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HS){1|C<3>,2|H<1>}	H(CC[6a]C[6]S)	107.6810	0.000	1	107.6810	0.000	1	107.6810	0.000	1	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:N-3:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuC)(CHH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NCuC)(CHH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CN)	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:N-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NHN)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNN)	H(CC[6]NN)	C(C[6]C[6]N[6])(NHN)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNN){1|C<3>,2|H<1>}	H(CC[6]NN)	105.8640	0.000	1	105.8640	0.000	1	105.8640	0.000	1	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:N[5]-3:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH)	H(CC[6]N[5]C)	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]C)	108.9490	0.035	2	108.9490	0.001	2	108.9283	0.002	3	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:N[5]-3:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH)	H(CC[6]N[5]C)	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]C)	108.8870	0.000	1	108.8870	0.000	1	108.9283	0.002	3	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:N[5]-3:N[5]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H)	H(CC[6]N[5]2)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]2)	107.9210	0.038	2	107.7213	0.120	3	107.6548	0.160	9	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:N[5]-3:N[5]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H)	H(CC[6]N[5]2)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H){1|C<3>,2|H<1>}	H(CC[6]N[5]2)	107.3220	0.000	1	107.7213	0.120	3	107.6548	0.160	9	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:N[5]-3:N[5]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]2H)	H(CC[6]N[5]2)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]2)	107.8655	0.128	4	107.8655	0.016	4	107.6548	0.160	9	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:N[5]-3:N[5]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]2H)	H(CC[6]N[5]2)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]2)	107.1335	0.507	2	107.1335	0.257	2	107.6548	0.160	9	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]C[6]N)	107.2435	0.412	2	107.2435	0.170	2	106.8151	2.407	7	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6](C[6]C[6]C)2(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,1|H<1>}	H(CC[6a]C[6]N)	107.3150	0.000	1	105.6795	5.350	2	106.8151	2.407	7	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6](C[6]C[6]C)2(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	104.0440	0.000	1	105.6795	5.350	2	106.8151	2.407	7	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN){1|C<4>,2|H<1>}	H(CC[6a]C[6]N)	108.8960	0.000	1	108.8960	0.000	1	106.8151	2.407	7	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN){1|C<4>,4|H<1>}	H(CC[6a]C[6]N)	106.4820	1.192	2	106.4820	1.421	2	106.8151	2.407	7	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H){2|C<3>}	H(CC[6a]2C[6])	104.2175	0.483	2	104.2175	0.233	2	105.2045	1.377	8	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	H(CC[6a]2C[6])	105.8300	0.000	1	105.8300	0.000	1	105.2045	1.377	8	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CC[6a]2H)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.9510	0.000	1	106.3587	0.281	3	105.2045	1.377	8	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CC[6a]2H)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CC[6a]2H){1|N<3>,2|H<1>}	H(CC[6a]2C[6])	106.0625	0.189	2	106.3587	0.281	3	105.2045	1.377	8	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	H(CC[6a]2C[6])	103.7770	0.000	1	103.7770	0.000	1	105.2045	1.377	8	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]O)2(CC[6a]2H)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]O)2(CC[6a]2H){1|C<4>,4|H<1>}	H(CC[6a]2C[6])	104.5180	0.000	1	104.5180	0.000	1	105.2045	1.377	8	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H)	H(CC[6]N[5]2)	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]N[5]2)	107.7060	0.000	1	107.7060	0.000	1	107.3595	0.240	2	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CN[5]2H)	H(CC[6]N[5]2)	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CN[5]2H){1|N<3>,2|H<1>}	H(CC[6]N[5]2)	107.0130	0.000	1	107.0130	0.000	1	107.3595	0.240	2	106.7224	2.632	107	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:4:2:	4:	C[6]-3:C[6a]-3:C-3:H-1:	C[6]-3:C-4:O[6]-2:	C-4:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCC)(H)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	H(CC[6a]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCC)(H)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<4>,4|H<1>}	H(CC[6a]C[6]C)	103.9460	0.000	1	103.9460	0.000	1	105.5745	5.304	2	105.5745	5.304	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:4:2:	4:	C[6]-3:C[6a]-3:C-3:H-1:	C[6]-3:C-4:O[6]-2:	C-4:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(COO)(H)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	H(CC[6a]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(COO)(H)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]C[6]C)	107.2030	0.000	1	107.2030	0.000	1	105.5745	5.304	2	105.5745	5.304	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:4:4:	4:	C[6]-3:C-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(COO)2(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(COO)2(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(CCCH){2|C<3>,2|H<1>}	H(CC[6]CC)	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	105.4910	1.461	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:4:4:	4:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-3:C-4:S[6]-4:	C-4:	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]N[6]OO)	H(CC[6a]C[6]2)	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]N[6]OO){1|C<4>,2|C<3>}	H(CC[6a]C[6]2)	104.7190	0.066	2	104.7190	0.004	2	104.8317	0.018	4	105.4910	1.461	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:4:4:	4:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-3:C-4:S[6]-4:	C-4:	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]O[6]OO)	H(CC[6a]C[6]2)	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]O[6]OO){2|C<3>}	H(CC[6a]C[6]2)	104.9445	0.005	2	104.9445	0.000	2	104.8317	0.018	4	105.4910	1.461	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	3:4:4:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2H)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2H){1|S<4>,4|C<3>}	H(CC[6a]2C[6])	105.8010	0.000	1	105.8010	0.000	1	105.8010	0.000	1	105.4910	1.461	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O)	H(CC[5a]C[6a]C[6])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,4|H<1>}	H(CC[5a]C[6a]C[6])	104.1610	0.000	1	104.1610	0.000	1	104.1610	0.000	1	105.2516	4.705	45	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C-4:N[6]-3:C[6]-3:	C-4:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(H)	C[6](CC[6a]C[6]H)(N[6]C[6]Ir)(C[6]C[6]H)	H(CC[6a]C[6]2)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(H)	C[6](CC[6a]C[6]H)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6]2)	104.3500	0.088	2	104.3500	0.008	2	104.3500	0.008	2	105.2516	4.705	45	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6]-3:N[5]-3:H-1:	C-4:N[6]-3:C[6]-3:	C-4:	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[6](CC[6]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H)	H(CC[6]2N[5])	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[6](CC[6]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	H(CC[6]2N[5])	110.2593	0.061	4	110.2593	0.004	4	109.1019	1.275	10	105.2516	4.705	45	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6]-3:N[5]-3:H-1:	C-4:N[6]-3:C[6]-3:	C-4:	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[6](CC[6]N[5]H)(N[6]C[6]Mn)(C[6]C[6]H)	H(CC[6]2N[5])	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[6](CC[6]N[5]H)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,2|H<1>}	H(CC[6]2N[5])	107.4140	0.049	2	107.4140	0.002	2	109.1019	1.275	10	105.2516	4.705	45	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6]-3:N[5]-3:H-1:	C-4:N[6]-3:C[6]-3:	C-4:	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[6](CC[6]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H)	H(CC[6]2N[5])	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[6](CC[6]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,2|H<1>}	H(CC[6]2N[5])	108.7885	0.057	4	108.7885	0.003	4	109.1019	1.275	10	105.2516	4.705	45	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:C[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[6](CC[6a]C[5]H)(C[6]C[6]O)2	H(CC[6a]C[5]C[6])	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[6](CC[6a]C[5]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	H(CC[6a]C[5]C[6])	105.2200	0.000	1	105.2200	0.000	1	105.2200	0.000	1	105.2516	4.705	45	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6](CC[6a]C[6]H)(C[6]C[6]O)2	H(CC[6a]C[6]2)	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6](CC[6a]C[6]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	H(CC[6a]C[6]2)	104.1039	0.349	31	104.1039	0.122	31	104.1039	0.122	31	105.2516	4.705	45	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.4330	0.000	1	106.4330	0.000	1	106.5620	0.033	2	106.5620	0.033	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]MgH)(C[6]C[6]H)(CC[6a]2H)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]MgH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.6910	0.000	1	106.6910	0.000	1	106.5620	0.033	2	106.5620	0.033	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C-4:C[6]-4:C[6]-3:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6](CC[6a]C[6]H)(C[6]C[6]OV)(C[6]C[6]H)	H(CC[6a]C[6]2)	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6](CC[6a]C[6]H)(C[6]C[6]OV)(C[6]C[6]H){1|C<3>,2|C<4>}	H(CC[6a]C[6]2)	106.4220	0.023	2	106.4220	0.001	2	106.4220	0.001	2	106.4220	0.001	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:2:4:	4:	C[6]-3:C-3:C-4:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH){1|H<1>,1|N<3>,4|C<3>}	H(CC[6]CC)	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	109.5923	12.108	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:2:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]2C)	106.2880	0.000	1	106.2880	0.000	1	106.2880	0.000	1	109.5923	12.108	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:2:4:	4:	C[6]-3:N[5]-3:C-4:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH)	H(CC[6]N[5]C)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6]N[5]C)	114.5000	0.000	1	114.5000	0.000	1	114.5000	0.000	1	109.5923	12.108	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:2:4:	4:	C[6]-3:P-3:C-4:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C[6](N[6]C[6]C)(N[6]C[6])(CCHP)	H(CC[6]CP)	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C[6](N[6]C[6]C)(N[6]C[6])(CCHP){1|C<4>,4|H<1>}	H(CC[6]CP)	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	109.5923	12.108	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[5]C[6]C)	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>}	H(CC[5]C[6]C)	107.2840	0.105	2	107.2840	0.011	2	107.3602	0.075	6	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[5]C[6]C)	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>}	H(CC[5]C[6]C)	107.8260	0.000	1	107.8260	0.000	1	107.3602	0.075	6	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[5]C[6]C)	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>}	H(CC[5]C[6]C)	107.3410	0.000	1	107.3410	0.000	1	107.3602	0.075	6	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[5]C[6]C)	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>}	H(CC[5]C[6]C)	107.2130	0.301	2	107.2130	0.091	2	107.3602	0.075	6	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C-3:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]N)(PReCC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	H(CC[6]CP)	C(C[6]C[6]N[6])(CC[6a]N)(PReCC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CP)	113.2520	0.829	2	113.2520	0.687	2	113.2520	0.687	2	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[5]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[5]N[5]2)(NMoCH)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[5]HN)	H(CC[5]C[6]N)	C(C[6]C[6]N[6])(C[5]N[5]2)(NMoCH)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[5]HN){1|C<3>,2|H<1>}	H(CC[5]C[6]N)	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(CC3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]2)2(CC3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]2C)	104.7635	0.181	4	104.7635	0.033	4	105.8727	0.923	16	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<4>,2|C<3>}	H(CC[6]2C)	106.7049	0.188	7	106.7049	0.035	7	105.8727	0.923	16	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]O)2(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	H(CC[6]2C)	104.6525	0.064	2	104.6525	0.004	2	105.8727	0.923	16	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]2C)	106.2233	0.452	3	106.2233	0.204	3	105.8727	0.923	16	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(CCHH)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]N[6])2(CCHH)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[6]CH){1|H<1>,2|C<3>}	H(CC[6]2C)	107.5125	0.005	2	107.5125	0.000	2	106.5431	0.369	10	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(CC[6a]2H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]N[6])2(CC[6a]2H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6]2C)	106.4555	0.019	2	106.4555	0.000	2	106.5431	0.369	10	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(CH3)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]N[6])2(CH3)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6]2C)	106.7870	0.136	2	106.7870	0.018	2	106.5431	0.369	10	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(CHHP)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]N[6])2(CHHP)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6]2C)	105.9815	0.108	2	105.9803	0.007	4	106.5431	0.369	10	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(CHHP)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]N[6])2(CHHP)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH){1|H<1>,2|C<3>}	H(CC[6]2C)	105.9790	0.103	2	105.9803	0.007	4	106.5431	0.369	10	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6]C[6]2)(NPtCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6]N[6])(C[6]C[6]2)(NPtCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HN){1|O<1>,2|C<3>}	H(CC[6]2N)	106.9180	0.000	1	106.9180	0.000	1	106.9180	0.000	1	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6]C[6]2)(NPtCH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6]N[6])(C[6]C[6]2)(NPtCH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6]2N)	107.0060	0.000	1	107.0060	0.000	1	111.2168	0.920	35	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(NCoCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6]N[6])2(NCoCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6]2N)	112.9730	0.139	2	112.9730	0.019	2	111.2168	0.920	35	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(NFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6]N[6])2(NFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6]2N)	111.3083	0.436	24	111.3083	0.190	24	111.2168	0.920	35	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(NFeCH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6]N[6])2(NFeCH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]2N)	110.6705	0.026	2	110.6705	0.001	2	111.2168	0.920	35	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(NMnCC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6]N[6])2(NMnCC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6]2N)	110.5933	0.041	3	110.5933	0.002	3	111.2168	0.920	35	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(NNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6]N[6])2(NNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6]2N)	111.9050	0.000	1	111.9050	0.000	1	111.2168	0.920	35	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(NZnCC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6]N[6])2(NZnCC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6]2N)	111.6055	0.487	2	111.6055	0.237	2	111.2168	0.920	35	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:S-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(SO3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HS)	H(CC[6]2S)	C(C[6]C[6]N[6])2(SO3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HS){1|C<3>,2|H<1>}	H(CC[6]2S)	106.4640	0.693	2	106.4640	0.480	2	105.9317	1.155	6	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:S-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(SO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HS)	H(CC[6]2S)	C(C[6]C[6]N[6])2(SO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HS){1|C<3>,2|H<1>}	H(CC[6]2S)	105.6655	1.217	4	105.6655	1.481	4	105.9317	1.155	6	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]N)	107.8000	0.000	1	107.8000	0.000	1	107.1992	2.331	13	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	106.1215	2.016	4	106.1215	4.065	4	107.1992	2.331	13	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]FeH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]FeH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	106.2420	0.000	1	106.2420	0.000	1	107.1992	2.331	13	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	106.4375	0.097	2	106.4375	0.009	2	107.1992	2.331	13	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdCH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdCH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	108.7393	0.358	3	108.7393	0.128	3	107.1992	2.331	13	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN){1|C<2>,2|H<1>}	H(CC[6a]C[6]N)	107.7780	0.000	1	107.9840	0.085	2	107.1992	2.331	13	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	108.1900	0.000	1	107.9840	0.085	2	107.1992	2.331	13	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[5,6]Zn)(CH3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[5,6]Zn)(CH3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	109.3990	0.030	2	109.3990	0.001	2	107.0677	22.915	22	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[6]CN)	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>}	H(CC[6]CN)	108.0857	0.665	6	108.0857	0.442	6	107.0677	22.915	22	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6]CN)	107.4150	0.583	4	107.4150	0.340	4	107.0677	22.915	22	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6]CN)	108.1130	0.000	1	108.1130	0.000	1	107.0677	22.915	22	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	86.0552	0.000	1	86.0552	0.000	1	107.0677	22.915	22	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	106.5380	0.147	2	106.5380	0.022	2	107.0677	22.915	22	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoC)(CH3)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NCoC)(CH3)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6]CN)	108.4980	0.000	1	108.4980	0.000	1	107.0677	22.915	22	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuC)(CH3)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NCuC)(CH3)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CN)	106.7600	0.000	1	106.7600	0.000	1	107.0677	22.915	22	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeC)(CC3)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NFeC)(CC3)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	108.8040	0.000	1	108.8040	0.000	1	107.0677	22.915	22	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPdC)(CH3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NPdC)(CH3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	108.9290	0.000	1	108.9290	0.000	1	107.0677	22.915	22	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnC)(CH3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NZnC)(CH3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	109.1415	0.022	2	109.1415	0.000	2	107.0677	22.915	22	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N[5]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C[6](C[6]C[6]H)2(CN[5]CH)	H(CC[6]N[5]C)	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C[6](C[6]C[6]H)2(CN[5]CH){1|C<3>,1|H<1>}	H(CC[6]N[5]C)	101.3120	0.000	1	101.3120	0.000	1	101.3120	0.000	1	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N[5]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]CH)	H(CC[6]N[5]C)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N[5]C)	105.9010	0.000	1	105.9010	0.000	1	106.9190	2.073	2	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N[5]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]CH)	H(CC[6]N[5]C)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N[5]C)	107.9370	0.000	1	107.9370	0.000	1	106.9190	2.073	2	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:O-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCoH)(CH3)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(OCoH)(CH3)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6]CO)	108.5525	0.642	6	108.5525	0.412	6	108.7854	0.329	10	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:O-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCuH)(CH3)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(OCuH)(CH3)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CO)	109.2750	0.089	2	109.2750	0.008	2	108.7854	0.329	10	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:O-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OFeH)(CC3)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(OFeH)(CC3)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6]CO)	108.9670	0.000	1	108.9670	0.000	1	108.7854	0.329	10	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:O-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ORuH)(CH3)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(ORuH)(CH3)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6]CO)	109.0220	0.000	1	109.0220	0.000	1	108.7854	0.329	10	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:P-3:C-4:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP)	H(CC[6]CP)	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP){1|C<4>,4|H<1>}	H(CC[6]CP)	105.5020	0.000	1	105.5020	0.000	1	105.5020	0.000	1	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]O)2(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]O)2(CC[6a]CH){1|C<3>,3|C<4>}	H(CC[6a]C[6]C)	103.3200	0.427	2	103.3200	0.182	2	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]C[6]C)	104.2840	0.000	1	104.2840	0.000	1	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH){1|O<1>,2|C<3>}	H(CC[6a]C[6]C)	106.0560	0.000	1	106.0560	0.000	1	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	H(CC[6a]C[6]C)	105.9885	0.011	2	105.9885	0.000	2	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	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>}	H(CC[6a]C[6]C)	105.9490	0.000	1	105.9490	0.000	1	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]C[6]C)	104.8340	0.000	1	104.8340	0.000	1	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]C)	109.4910	3.554	4	107.6956	6.679	10	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]C[6]C)	106.6805	0.289	2	107.6956	6.679	10	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]C[6]C)	106.4077	0.428	4	107.6956	6.679	10	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	H(CC[6a]C[6]C)	106.6605	0.168	2	106.6605	0.028	2	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	C[6](C[6]O[6]O)2(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	C[6](C[6]O[6]O)2(CC[6a]CH){1|C<4>}	H(CC[6a]C[6]C)	104.6750	0.000	1	104.6750	0.000	1	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]C)	107.9165	2.236	6	107.6296	4.742	7	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]C[6]C)	105.9080	0.000	1	107.6296	4.742	7	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]C[6]C)	108.6240	0.000	1	108.6240	0.000	1	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	H(CC[6a]C[6]C)	106.5380	0.259	2	106.5380	0.067	2	106.7677	4.889	31	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]CH)	H(CC[6]N[6]C)	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6]N[6]C)	106.3380	0.000	1	106.3380	0.000	1	106.3380	0.000	1	107.9166	8.966	158	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:4:2:	4:	C[6]-3:C[6a]-3:C-4:H-1:	C[6]-3:C-4:N[6]-2:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]H)(CC[6a]CH)(N[6]C[6])	H(CC[6a]C[6]C)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]H)(CC[6a]CH)(N[6]C[6]){1|C<3>,1|H<1>}	H(CC[6a]C[6]C)	107.4480	0.000	1	107.4480	0.000	1	107.4480	0.000	1	107.2410	0.086	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	3:4:2:	4:	C[6]-3:C[6a]-3:C-4:H-1:	C[6]-3:C-4:O[6]-2:	C-4:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])	H(CC[6a]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6]){1|H<1>,3|C<3>}	H(CC[6a]C[6]C)	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	107.2410	0.086	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	4:2:2:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C[6]-2:C[6]-2:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C[6](CC[6a]CH)(C[6]C[6])2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C[6](CC[6a]CH)(C[6]C[6])2{1|C<3>,2|C<4>}	H(CC[6a]C[6]C)	107.2510	0.000	1	107.2510	0.000	1	107.2510	0.000	1	107.2510	0.000	1	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6]-3:N[6]-4:H-1:	C-4:N[6]-3:C[6]-3:	C-4:	C(C[6]C[6]N[6])2(N[6]C[6]2Mn)(H)	C[6](CC[6]N[6]H)(N[6]C[6]Mn)(C[6]C[6]H)	H(CC[6]2N[6])	C(C[6]C[6]N[6])2(N[6]C[6]2Mn)(H)	C[6](CC[6]N[6]H)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,2|H<1>}	H(CC[6]2N[6])	109.3670	0.048	2	109.3670	0.002	2	109.3670	0.002	2	109.3057	0.012	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-4:H-1:	C-4:N[6]-3:C[6]-3:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]2Fe)(H)	C[6](CC[6a]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H)	H(CC[6a]C[6]N[6])	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]2Fe)(H)	C[6](CC[6a]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6]N[6])	109.1830	0.000	1	109.1830	0.000	1	109.1830	0.000	1	109.3057	0.012	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]CH)	H(CC[6]N[6]C)	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]CH){1|C<4>,4|H<1>}	H(CC[6]N[6]C)	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	105.1793	3.679	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH){2|H<1>,3|C<4>}	H(CC[6a]C[6]C)	105.3020	0.000	1	105.3020	0.000	1	104.2525	2.203	2	105.1793	3.679	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH){1|C<3>,3|H<1>}	H(CC[6a]C[6]C)	103.2030	0.000	1	103.2030	0.000	1	104.2525	2.203	2	105.1793	3.679	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	2:2:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-2:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(CH3)(H)2	C[6](N[6]C[6])2(CCHH)	H(CC[6]CH)	C(C[6]N[6]2)(CH3)(H)2	C[6](N[6]C[6])2(CCHH){1|N<2>,2|N<3>}	H(CC[6]CH)	109.1935	0.019	2	109.1935	0.000	2	109.1935	0.000	2	109.1935	0.000	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	2:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[5,6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(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>}	H(CC[6]CH)	108.9789	0.168	10	108.9789	0.028	10	109.0742	0.073	12	108.9479	0.139	15	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	2:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[5,6])(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[5,6])(C[6]C[6]H)(CCHH){1|C<4>,2|N<3>}	H(CC[6]CH)	109.5505	0.015	2	109.5505	0.000	2	109.0742	0.073	12	108.9479	0.139	15	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	2:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-2:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(CH3)(H)2	C[6](N[6]C[6,6a])(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]N[6]2)(CH3)(H)2	C[6](N[6]C[6,6a])(N[6]C[6]H)(CCHH){1|S<1>,2|C<3>}	H(CC[6]CH)	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	108.9479	0.139	15	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	2:3:4:	4:	C[6]-3:C-4:H-1:H-1:	S[6]-2:C[6]-3:C-4:	C-4:	C(C[6]C[6]S[6])(CCHH)(H)2	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]S[6])(CCHH)(H)2	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH){2|C<3>}	H(CC[6]CH)	108.2660	0.076	2	108.2660	0.006	2	108.2660	0.006	2	108.9479	0.139	15	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5a,6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[5a,6]N[6])(CCCO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[5a,6]N[6])(CCCO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]CH)	109.4280	0.006	2	109.4280	0.000	2	109.4280	0.000	2	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6])(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>}	H(CC[6]CH)	108.1900	0.298	3	108.1900	0.089	3	108.8604	0.277	9	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6,6a]N[6])(CC[6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6])(CC[6a]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>}	H(CC[6]CH)	109.1660	0.010	2	109.1660	0.000	2	108.8604	0.277	9	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6,6a]N[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]CH)	109.2105	0.065	4	109.2105	0.004	4	108.8604	0.277	9	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|N<2>,2|H<1>}	H(CC[6]CH)	107.5020	0.023	2	107.5020	0.001	2	104.9482	54.640	6	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]CH)	107.7375	2.528	2	103.6713	84.545	4	104.9482	54.640	6	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	99.6051	13.458	2	103.6713	84.545	4	104.9482	54.640	6	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6]C)(N[6]O[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6]C)(N[6]O[6])(CCHH){1|H<1>,2|C<4>}	H(CC[6]CH)	109.0815	0.008	2	109.0815	0.000	2	109.1033	0.133	13	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6]CH)	108.9347	0.676	4	108.9347	0.457	4	109.1033	0.133	13	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]H)(N[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]H)(N[6]C[6])(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	H(CC[6]CH)	109.2059	0.076	7	109.2059	0.006	7	109.1033	0.133	13	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCHH){1|S<1>,2|C<3>}	H(CC[6]CH)	106.1000	0.652	2	106.1000	0.425	2	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(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>}	H(CC[6]CH)	108.6565	0.330	8	108.6565	0.109	8	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6]B)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6]B)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]CH)	108.7335	0.009	2	108.7335	0.000	2	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|S<2>}	H(CC[6]CH)	109.0740	0.000	1	108.7790	0.068	3	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	H(CC[6]CH)	108.6315	0.070	2	108.7790	0.068	3	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	H(CC[6]CH)	108.6170	0.010	2	108.6170	0.000	2	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	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)	H(CC[6]CH)	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>}	H(CC[6]CH)	109.8738	0.049	4	109.8738	0.002	4	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<4>}	H(CC[6]CH)	106.8480	2.783	2	106.8480	7.746	2	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<4>}	H(CC[6]CH)	108.7455	0.260	4	108.7455	0.067	4	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	H(CC[6]CH)	108.8335	0.085	4	108.8335	0.007	4	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]CH)	108.3535	0.415	4	108.3535	0.172	4	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]CH)	108.5441	0.567	15	108.5278	0.251	19	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<1>}	H(CC[6]CH)	108.4670	0.038	4	108.5278	0.251	19	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CHHO)(H)2	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]O[6])(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>}	H(CC[6]CH)	108.8525	0.132	4	108.8525	0.017	4	108.5664	0.711	58	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:S[6]-2:C-4:	C-4:	C(C[6]C[6]S[6])(CH3)(H)2	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]S[6])(CH3)(H)2	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]CH)	108.7870	0.040	2	108.7870	0.002	2	108.7870	0.002	2	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6,6a]-3:O[6]-2:C-4:	C-4:	C(C[6]N[6,6a]O[6])(CH3)(H)2	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH)	H(CC[6]CH)	C(C[6]N[6,6a]O[6])(CH3)(H)2	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>}	H(CC[6]CH)	108.8810	0.345	3	108.8810	0.119	3	108.8810	0.119	3	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6])(CCHH)	H(CC[6]CH)	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>}	H(CC[6]CH)	107.6510	0.206	2	107.6510	0.043	2	110.2470	4.795	6	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	111.5450	1.113	4	111.5450	1.239	4	110.2470	4.795	6	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CCHH)	H(CC[6]CH)	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	108.9274	0.818	10	108.9274	0.670	10	108.8789	0.474	14	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(CH3)(H)2	C[6](N[6]N[6]C)(N[6]N[6])(CCHH)	H(CC[6]CH)	C(C[6]N[6]2)(CH3)(H)2	C[6](N[6]N[6]C)(N[6]N[6])(CCHH){2|C<3>}	H(CC[6]CH)	108.7578	0.136	4	108.7578	0.019	4	108.8789	0.474	14	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(NCCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHHN){1|C<3>,1|H<1>}	H(CC[6]HN)	108.6915	0.037	2	108.6915	0.001	2	108.9352	0.054	6	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(NH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHHN){1|C<3>,1|H<1>}	H(CC[6]HN)	109.0570	0.171	4	109.0570	0.029	4	108.9352	0.054	6	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6])(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6])(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.5410	0.000	1	109.5410	0.000	1	109.5410	0.000	1	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:2:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(PCuCC)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHP)	H(CC[6]HP)	C(C[6]C[6]2)(PCuCC)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHP){1|C<3>}	H(CC[6]HP)	111.1685	1.568	2	111.1685	2.458	2	111.1685	2.458	2	108.6801	3.865	122	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:As-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(AsMoCC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CAsHH)	H(CC[6]AsH)	C(C[6]C[6]N[6])(AsMoCC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CAsHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]AsH)	97.7775	0.697	15	97.7775	0.486	15	97.9630	0.437	27	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:As-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(AsRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CAsHH)	H(CC[6]AsH)	C(C[6]C[6]N[6])(AsRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CAsHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]AsH)	98.1948	0.555	12	98.1948	0.309	12	97.9630	0.437	27	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:B-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(BC[6a]2N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH)	H(CC[6]BH)	C(C[6]C[6]N[6])(BC[6a]2N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH){1|C<3>,2|H<1>}	H(CC[6]BH)	107.2640	0.011	2	107.2640	0.000	2	108.5350	0.621	8	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:B-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH)	H(CC[6]BH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]BH)	109.0680	0.024	2	109.0680	0.001	2	108.5350	0.621	8	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:B-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(BN[6]CC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH)	H(CC[6]BH)	C(C[6]C[6]N[6])(BN[6]CC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH){1|C<3>,2|H<1>}	H(CC[6]BH)	108.9040	0.033	4	108.9040	0.001	4	108.5350	0.621	8	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:B-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH)	H(CC[6]BH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,3|C<3>}	H(CC[6]BH)	107.6500	1.800	2	107.6500	3.241	2	107.4765	0.541	8	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:B-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH)	H(CC[6]BH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,2|C<3>}	H(CC[6]BH)	107.4020	0.006	2	107.4020	0.000	2	107.4765	0.541	8	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:B-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CBHH)	H(CC[6]BH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CBHH){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]BH)	107.4270	0.392	4	107.4270	0.154	4	107.4765	0.541	8	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(CCHH)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(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>}	H(CC[6]CH)	108.3530	0.038	2	108.3530	0.001	2	108.3530	0.001	2	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C-4:	C(C[6]C[5a,6]2)(CCHH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	H(CC[6]CH)	C(C[6]C[5a,6]2)(CCHH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|C<4>,4|C<3>}	H(CC[6]CH)	109.0238	0.163	4	109.1366	0.032	10	109.1366	0.032	10	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C-4:	C(C[6]C[5a,6]2)(CCHH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	H(CC[6]CH)	C(C[6]C[5a,6]2)(CCHH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|H<1>,4|C<3>}	H(CC[6]CH)	109.2118	0.160	6	109.1366	0.032	10	109.1366	0.032	10	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6])(CCHH)(H)2	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6])(CCHH)(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>}	H(CC[6]CH)	109.2220	0.041	2	109.2220	0.002	2	109.2220	0.002	2	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CH3)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	109.1720	0.004	2	109.1720	0.000	2	109.2563	2.845	7	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CHHO)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CHHO)(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>}	H(CC[6]CH)	110.9475	2.809	2	110.9475	7.892	2	109.2563	2.845	7	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CHHS)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CHHS)(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>}	H(CC[6]CH)	108.1850	0.015	3	108.1850	0.000	3	109.2563	2.845	7	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6])(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>}	H(CC[6]CH)	110.2485	2.528	2	110.2485	6.390	2	110.2485	6.390	2	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6]C[6,6a]2)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]2)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	H(CC[6]CH)	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CCHH)(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>}	H(CC[6]CH)	109.0220	0.045	2	109.0220	0.002	2	108.8365	0.439	13	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CCHH)(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>}	H(CC[6]CH)	108.9930	0.057	2	108.9930	0.003	2	108.8365	0.439	13	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CF3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CF3)(H)2	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>}	H(CC[6]CH)	108.7805	0.242	4	108.7805	0.059	4	108.8365	0.439	13	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	109.2915	0.032	2	109.2915	0.001	2	108.8365	0.439	13	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	108.0855	1.842	2	108.0855	3.393	2	108.8365	0.439	13	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	108.9680	0.000	1	108.9680	0.000	1	108.8365	0.439	13	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6,6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(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>}	H(CC[6]CH)	108.9185	0.032	2	108.9185	0.001	2	109.1078	0.048	4	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6,6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	109.2970	0.010	2	109.2970	0.000	2	109.1078	0.048	4	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CBrHH)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CBrHH)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<1>,4|C<3>}	H(CC[6]CH)	109.7555	0.032	2	109.7555	0.001	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCCH)(H)2	C[6](C[6]C[6]O)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCCH)(H)2	C[6](C[6]C[6]O)2(CCHH){1|C<3>,1|N<3>,1|O<1>}	H(CC[6]CH)	108.1915	0.043	2	108.1915	0.002	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.5740	0.031	2	108.5740	0.001	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(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>}	H(CC[6]CH)	109.0000	0.048	2	109.0000	0.002	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	109.6645	0.050	2	109.6645	0.003	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.7110	0.054	2	108.7110	0.003	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH){2|C<4>,2|H<1>}	H(CC[6]CH)	108.9750	0.040	2	108.9750	0.002	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CCHH){1|Pt<4>,2|C<3>}	H(CC[6]CH)	108.0163	0.269	3	108.0163	0.072	3	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH){1|O<1>,2|C<3>}	H(CC[6]CH)	109.3145	0.015	2	109.3145	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	H(CC[6]CH)	109.2463	0.268	4	109.2463	0.072	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	109.4325	0.032	2	109.4325	0.001	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]CH)	109.4520	0.017	2	109.4520	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	H(CC[6]CH)	109.1123	0.340	4	109.1123	0.116	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH){1|C<3>,1|C<4>}	H(CC[6]CH)	108.7680	0.055	2	108.7680	0.003	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(CCHH){1|C<4>,1|O<2>,1|S<2>}	H(CC[6]CH)	109.3425	0.056	2	109.4557	0.040	3	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(CCHH){1|Cr<6>,1|C<4>,1|O<2>}	H(CC[6]CH)	109.6820	0.000	1	109.4557	0.040	3	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	109.8423	1.011	4	109.8423	1.023	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<3>,2|H<1>}	H(CC[6]CH)	109.9820	0.236	4	109.9820	0.056	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.5913	0.657	11	108.7244	0.158	57	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.6234	0.202	8	108.7244	0.158	57	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.9349	0.193	7	108.7244	0.158	57	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.9220	0.042	2	108.7244	0.158	57	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.8930	0.105	13	108.7244	0.158	57	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.3829	0.410	8	108.7244	0.158	57	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.8421	0.302	8	108.7244	0.158	57	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.7345	0.070	2	108.7274	0.158	27	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.9820	0.017	2	108.7274	0.158	27	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6]CH)	108.6611	0.547	11	108.7274	0.158	27	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.6112	0.251	4	108.7274	0.158	27	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Ru<9>,1|C<3>,1|H<1>}	H(CC[6]CH)	108.8990	0.058	2	108.7274	0.158	27	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.7818	0.351	6	108.7274	0.158	27	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]CH)	109.2270	0.260	8	108.8267	1.013	125	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.7935	0.022	2	108.8267	1.013	125	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>}	H(CC[6]CH)	108.1950	3.620	2	108.8267	1.013	125	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	H(CC[6]CH)	108.8102	0.991	113	108.8267	1.013	125	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(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>}	H(CC[6]CH)	108.8955	1.405	2	108.8955	1.974	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.1709	0.377	8	108.5030	0.480	26	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.2099	0.497	12	108.5030	0.480	26	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){2|C<3>,2|N<3>}	H(CC[6]CH)	109.5318	0.065	6	108.5030	0.480	26	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	109.0896	0.068	8	109.0896	0.005	8	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.5776	0.539	16	108.5776	0.291	16	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	109.0475	0.049	2	109.0475	0.002	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.7255	0.306	4	108.7255	0.093	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){1|C<3>,1|P<4>}	H(CC[6]CH)	109.2160	0.017	2	109.2160	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]O[6]Cr)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]O[6]Cr)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>}	H(CC[6]CH)	109.5195	0.042	2	109.5195	0.002	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHN)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHN)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<2>,2|H<1>}	H(CC[6]CH)	105.7245	5.035	2	107.9177	12.887	6	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHN)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHN)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	H(CC[6]CH)	109.0143	2.867	4	107.9177	12.887	6	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHP)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHP)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	H(CC[6]CH)	108.2690	3.145	2	108.2690	9.892	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	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>}	H(CC[6]CH)	108.6530	0.008	2	108.6530	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	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>}	H(CC[6]CH)	108.5360	0.065	4	108.5360	0.004	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH){1|C<4>,2|H<1>}	H(CC[6]CH)	109.1513	0.360	4	109.1513	0.130	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<4>}	H(CC[6]CH)	108.9370	0.034	2	108.8294	0.559	100	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	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>}	H(CC[6]CH)	108.8272	0.755	98	108.8294	0.559	100	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]CH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]CH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	108.9900	0.010	2	108.9900	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	H(CC[6]CH)	108.2525	0.069	4	108.2525	0.005	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>}	H(CC[6]CH)	112.8660	1.308	2	112.8660	1.711	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]CH)	109.0755	0.125	2	108.7215	1.515	20	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	H(CC[6]CH)	105.6480	1.047	2	108.7215	1.515	20	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	H(CC[6]CH)	109.0614	0.667	16	108.7215	1.515	20	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CClHH)(H)2	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CClHH)(H)2	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){2|C<4>}	H(CC[6]CH)	109.4965	0.006	2	109.4965	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	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>}	H(CC[6]CH)	109.4883	0.198	3	109.4883	0.039	3	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<6>,3|B<6>}	H(CC[6]CH)	109.3075	0.015	2	109.3075	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH){1|C<4>,4|B<6>}	H(CC[6]CH)	109.1790	0.208	3	109.1790	0.043	3	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	H(CC[6]CH)	109.4850	0.006	2	109.4850	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|C<6>,4|B<6>}	H(CC[6]CH)	109.5615	0.005	2	109.4488	0.028	15	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(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>}	H(CC[6]CH)	109.3758	0.119	11	109.4488	0.028	15	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|Si<4>,1|C<6>,4|B<6>}	H(CC[6]CH)	109.7375	0.009	2	109.4488	0.028	15	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	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>}	H(CC[6]CH)	109.3830	0.000	1	109.3830	0.000	1	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	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>}	H(CC[6]CH)	108.9275	0.150	4	108.9275	0.022	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH){1|O<1>,1|O<2>,2|C<4>}	H(CC[6]CH)	109.3730	0.000	1	109.3730	0.000	1	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH){1|Cr<9>,1|O<2>,2|C<4>}	H(CC[6]CH)	109.4451	0.257	7	109.4451	0.066	7	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	H(CC[6]CH)	109.2685	0.039	2	109.2685	0.002	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH){1|Pd<4>,1|C<3>,1|O<1>}	H(CC[6]CH)	109.0705	0.015	2	109.0705	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CH)	109.0830	0.017	2	108.6973	0.195	22	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	H(CC[6]CH)	108.1730	0.018	2	108.6973	0.195	22	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Fe<6>,1|C<3>,1|H<1>}	H(CC[6]CH)	108.7771	0.421	16	108.6973	0.195	22	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Ni<6>,1|C<3>,1|H<1>}	H(CC[6]CH)	108.1975	0.011	2	108.6973	0.195	22	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,1|C<4>}	H(CC[6]CH)	108.9502	0.299	4	108.6408	0.909	23	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,2|C<4>}	H(CC[6]CH)	108.5756	1.035	19	108.6408	0.909	23	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|N<3>}	H(CC[6]CH)	108.7485	0.487	4	108.7737	1.505	45	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	H(CC[6]CH)	108.7762	1.280	41	108.7737	1.505	45	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,1|S<4>,5|C<3>}	H(CC[6]CH)	109.2545	0.042	4	109.2253	0.004	6	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,6|C<3>}	H(CC[6]CH)	109.1670	0.075	2	109.2253	0.004	6	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	H(CC[6]CH)	108.9363	0.056	4	108.9363	0.003	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]N[6]O)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]N[6]O)2(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	110.5540	0.016	2	110.5540	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	H(CC[6]CH)	109.7235	0.047	2	109.7235	0.002	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHO)(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>}	H(CC[6]CH)	109.3335	0.016	2	109.3335	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	H(CC[6]CH)	108.7285	0.028	2	108.7285	0.001	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Cu<5>,2|C<3>}	H(CC[6]CH)	109.1035	0.054	2	109.2558	0.032	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Mn<6>,2|C<3>}	H(CC[6]CH)	109.4080	0.004	2	109.2558	0.032	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	109.0665	0.023	2	109.0665	0.001	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	H(CC[6]CH)	109.5800	0.064	2	109.4878	0.013	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	H(CC[6]CH)	109.3955	0.011	2	109.4878	0.013	4	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CN[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CN[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	H(CC[6]CH)	109.2405	0.013	2	109.2405	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(COPP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(COPP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.6430	0.010	2	108.6430	0.000	2	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(COPP)(H)2	C[6](C[6]C[6]H)2(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(COPP)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	H(CC[6]CH)	107.8720	0.000	1	107.8720	0.000	1	108.8656	0.809	628	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCCH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	H(CC[6]CH)	108.8170	0.047	2	108.8170	0.002	2	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.4950	0.052	2	108.4950	0.003	2	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH){1|N<2>,2|C<3>}	H(CC[6]CH)	108.6131	0.091	8	108.6131	0.008	8	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6]CH)	108.9915	0.353	4	108.9915	0.125	4	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.4080	0.000	1	108.6187	0.135	37	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	H(CC[6]CH)	108.4293	0.236	24	108.6187	0.135	37	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<2>}	H(CC[6]CH)	108.9776	0.179	8	108.6187	0.135	37	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(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>}	H(CC[6]CH)	109.2475	0.011	2	108.6187	0.135	37	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Se<1>,1|N<3>,1|O<1>}	H(CC[6]CH)	108.4330	0.018	2	108.6187	0.135	37	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHN)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHN)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.5305	0.008	2	108.5305	0.000	2	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHP)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHP)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.3948	0.139	4	109.3948	0.019	4	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.8518	0.177	4	108.8518	0.031	4	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	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)	H(CC[6]CH)	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>}	H(CC[6]CH)	108.7760	0.063	3	109.0678	0.162	5	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	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)	H(CC[6]CH)	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>}	H(CC[6]CH)	109.5055	0.008	2	109.0678	0.162	5	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](C[6]C[6]H)(N[6]C[6]V)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](C[6]C[6]H)(N[6]C[6]V)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CH)	109.3105	0.087	4	109.3105	0.007	4	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C[6](C[6]C[6,6a]H)(N[6]S[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C[6](C[6]C[6,6a]H)(N[6]S[6]C)(CCHH){2|C<3>,2|O<1>}	H(CC[6]CH)	107.8520	0.645	2	107.8520	0.416	2	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]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>}	H(CC[6]CH)	108.8520	0.031	4	108.8520	0.001	4	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.4245	0.026	2	109.4245	0.001	2	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.7892	0.148	5	108.7892	0.022	5	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	112.3120	0.202	2	109.0074	1.691	16	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<2>,1|N<3>,1|O<2>}	H(CC[6]CH)	108.6085	0.042	4	109.0074	1.691	16	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Os<6>,1|C<3>,1|H<1>}	H(CC[6]CH)	108.3515	0.029	2	109.0074	1.691	16	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Os<7>,1|C<3>,1|H<1>}	H(CC[6]CH)	108.7790	0.017	2	109.0074	1.691	16	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(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>}	H(CC[6]CH)	108.4665	0.152	6	109.0074	1.691	16	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CH)	108.7373	1.034	15	108.7373	1.069	15	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){1|N<2>,2|C<3>,2|N<3>}	H(CC[6]CH)	109.2142	0.446	53	109.2101	0.195	57	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){2|C<3>,3|N<3>}	H(CC[6]CH)	109.1562	0.451	4	109.2101	0.195	57	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|S<2>}	H(CC[6]CH)	109.3790	0.483	4	109.3790	0.233	4	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.3036	0.579	20	109.3036	0.335	20	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.8950	0.017	2	108.8950	0.000	2	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	107.9082	2.549	4	107.9082	6.499	4	108.9561	0.529	203	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(CCCH)(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]N[5,6]C[6])(CCCH)(H)2	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>}	H(CC[6]CH)	108.7765	0.075	4	108.7765	0.006	4	108.8446	0.087	8	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(CCHH)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6,6a]C)(CCHH)	H(CC[6]CH)	C(C[6]N[5,6]C[6])(CCHH)(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>}	H(CC[6]CH)	108.5400	0.013	2	108.5400	0.000	2	108.8446	0.087	8	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(CH3)(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]N[5,6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	109.2855	0.008	2	109.2855	0.000	2	108.8446	0.087	8	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5a,6]C[6])(CCHH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]N[5a,6]C[6])(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>}	H(CC[6]CH)	109.0455	0.005	2	109.0455	0.000	2	109.0455	0.000	2	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC3)(H)2	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC3)(H)2	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	108.3315	0.037	2	108.3315	0.001	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCCH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CH)	108.4657	0.290	4	108.4657	0.084	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](N[6]C[6,6]Ru)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](N[6]C[6,6]Ru)(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]CH)	108.0757	0.109	4	108.0757	0.012	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CH)	107.5645	0.331	6	107.5645	0.110	6	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CH)	108.4665	0.023	2	108.4665	0.001	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.3579	0.359	17	108.3579	0.129	17	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(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>}	H(CC[6]CH)	109.2770	0.000	1	109.2770	0.000	1	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	108.7843	0.317	8	108.7843	0.101	8	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	109.2580	0.030	2	109.2580	0.001	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	106.1125	0.019	2	106.1125	0.000	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	108.7297	0.260	16	108.7297	0.067	16	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	108.6100	0.059	2	108.6100	0.004	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	109.2060	0.059	2	109.3905	0.047	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|O<2>,2|C<3>}	H(CC[6]CH)	109.5750	0.017	2	109.3905	0.047	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCHH){3|C<3>}	H(CC[6]CH)	108.7430	1.124	4	108.7430	1.264	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Ru)(C[6]N[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Ru)(C[6]N[6]O)(CCHH){2|C<3>}	H(CC[6]CH)	108.8975	0.016	2	108.8975	0.000	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.9620	0.023	2	108.9620	0.001	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(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>}	H(CC[6]CH)	108.8635	0.472	4	108.7148	0.273	13	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(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>}	H(CC[6]CH)	108.4230	0.381	7	108.7148	0.273	13	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.4390	0.017	2	108.7148	0.273	13	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>}	H(CC[6]CH)	108.0650	0.006	2	108.5247	0.634	3	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	109.4440	0.000	1	108.5247	0.634	3	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.0045	0.012	2	108.0045	0.000	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CCHH){2|O<1>,4|C<3>}	H(CC[6]CH)	108.7675	0.011	2	108.7675	0.000	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHP)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHP)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.3817	0.064	4	109.3817	0.004	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[5]RuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[5]RuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.0945	0.063	2	109.0945	0.004	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[6]CH)	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>}	H(CC[6]CH)	108.9458	0.732	8	108.9458	0.535	8	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[6]CH)	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>}	H(CC[6]CH)	108.7847	0.334	3	108.7847	0.112	3	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.9720	0.031	2	108.9720	0.001	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[6]CH)	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>}	H(CC[6]CH)	108.8740	0.650	4	108.8740	0.422	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[6]CH)	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>}	H(CC[6]CH)	109.2030	0.864	2	108.9194	0.240	8	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[6]CH)	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>}	H(CC[6]CH)	108.8248	0.378	6	108.9194	0.240	8	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[6]CH)	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>}	H(CC[6]CH)	107.5437	0.994	17	107.5437	0.987	17	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6]PtH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6]PtH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.5690	0.016	2	109.5690	0.000	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CH)	108.4790	0.071	2	108.4790	0.005	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CH)	108.2357	0.459	39	108.2357	0.211	39	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	107.7507	1.701	4	107.7507	2.894	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	107.8445	0.101	4	107.8445	0.010	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CH)	108.6525	0.448	6	108.6525	0.201	6	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	108.2498	0.258	4	108.2498	0.066	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.6777	0.384	7	108.6777	0.147	7	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.8061	0.253	8	108.8061	0.064	8	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.1072	1.009	6	109.1072	1.019	6	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]HO)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]HO)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.7430	0.095	4	108.7430	0.009	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	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>}	H(CC[6]CH)	109.4355	0.026	2	109.4355	0.001	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	109.2570	0.031	2	109.2570	0.001	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	108.5930	0.470	4	108.5930	0.221	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	108.7520	1.780	2	108.7520	3.170	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6]CH)	108.8955	0.050	4	108.8955	0.003	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.1590	0.000	1	108.1590	0.000	1	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.2388	0.441	6	108.2388	0.195	6	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.8277	0.027	3	108.8277	0.001	3	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.7775	0.549	50	108.7775	0.302	50	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.6690	0.821	4	109.6690	0.675	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CH)	104.1817	5.674	8	108.4977	5.328	121	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]CH)	108.6013	0.573	6	108.4977	5.328	121	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]CH)	108.8635	0.242	8	108.4977	5.328	121	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.8221	1.618	97	108.4977	5.328	121	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6]CH)	108.2545	0.049	2	108.4977	5.328	121	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.7140	0.461	34	108.7140	0.213	34	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.3995	0.057	2	109.3995	0.003	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.2242	0.037	4	109.2242	0.001	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.6902	0.267	5	108.6902	0.071	5	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.3500	0.994	8	108.3500	0.989	8	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.4816	0.882	94	108.4816	0.778	94	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.6766	0.678	10	108.6766	0.460	10	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.2820	0.011	2	109.2820	0.000	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.8072	0.374	4	108.8072	0.140	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.1685	0.888	4	108.1685	0.788	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.3649	1.142	29	108.3649	1.304	29	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Sr)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Sr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.9257	0.045	4	108.9257	0.002	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.9900	0.539	30	108.9900	0.291	30	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.8040	0.031	3	108.8040	0.001	3	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.6826	0.194	8	108.6826	0.038	8	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.7670	0.038	2	108.7670	0.001	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.0913	0.088	6	109.0913	0.008	6	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.4080	0.040	2	108.4080	0.002	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.6265	0.043	2	108.6265	0.002	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.7476	0.238	34	108.7476	0.057	34	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.9493	1.799	6	108.9493	3.238	6	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.9895	0.090	4	108.9895	0.008	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.3325	0.274	4	109.3325	0.075	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.8177	0.083	3	108.8177	0.007	3	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.2578	0.330	13	109.2578	0.109	13	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.7815	0.407	15	108.7815	0.166	15	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	116.2065	8.839	4	116.2065	78.124	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.0585	0.047	2	109.0585	0.002	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.2958	0.332	10	109.2958	0.110	10	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.8585	0.046	4	108.8585	0.002	4	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.5887	0.050	3	108.5887	0.002	3	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	108.8680	0.014	2	108.8680	0.000	2	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CRuHN)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CRuHN)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6]CH)	109.2060	0.000	1	109.2060	0.000	1	108.6585	1.847	789	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	108.6200	0.604	45	108.6200	0.365	45	108.8077	0.416	76	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]C)2(CCHH)	H(CC[6]CH)	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]C)2(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	108.8575	1.363	6	108.8575	1.858	6	108.8077	0.416	76	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]Cr)(N[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]Cr)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	109.0865	0.264	4	109.0865	0.070	4	108.8077	0.416	76	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]Ir)(N[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]Ir)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	109.0255	0.015	2	109.0255	0.000	2	108.8077	0.416	76	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	109.1670	0.020	4	109.1670	0.000	4	108.8077	0.416	76	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	109.0676	0.269	5	109.0676	0.072	5	108.8077	0.416	76	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(CCHH)(H)2	C[6](N[6]Ga[5]C[6])(N[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]N[6]2)(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>}	H(CC[6]CH)	109.6550	0.071	2	109.6550	0.005	2	108.8077	0.416	76	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(CC[6]HH)(H)2	C[6](N[6]C[6]H)2(CCHH)	H(CC[6]CH)	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>}	H(CC[6]CH)	109.0877	0.304	6	109.0877	0.092	6	108.8077	0.416	76	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(CHHO)(H)2	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CCHH)	H(CC[6]CH)	C(C[6]N[6]2)(CHHO)(H)2	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CCHH){2|C<3>,2|O<2>}	H(CC[6]CH)	109.0495	0.028	2	109.0495	0.001	2	108.8077	0.416	76	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:H-1:	P[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]P[6])(CCHH)(H)2	C[6](P[6]C[6]Cu)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]P[6])(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>}	H(CC[6]CH)	109.0358	0.038	4	109.0358	0.001	4	109.0358	0.001	4	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:O-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC3)(H)(O)	C[6](C[6]C[6]H)2(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CC3)(H)(O)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	H(CC[6]CO)	102.0360	0.000	2	102.0360	0.000	2	104.1730	13.700	3	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C-4:H-1:O-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)(O)	C[6](C[6]C[6]H)2(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CH3)(H)(O)	C[6](C[6]C[6]H)2(CCHO){1|C<2>,2|H<1>}	H(CC[6]CO)	108.4470	0.000	1	108.4470	0.000	1	104.1730	13.700	3	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[4]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[4]C[4]2Os)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CC[4]HH)	H(CC[4]C[6]H)	C(C[6]C[6]N[6])(C[4]C[4]2Os)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CC[4]HH){1|C<3>,2|H<1>}	H(CC[4]C[6]H)	109.4335	0.006	2	109.4335	0.000	2	109.4335	0.000	2	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)2	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CC[5]HH)	H(CC[5]C[6]H)	C(C[6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)2	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CC[5]HH){2|C<3>,4|C<4>}	H(CC[5]C[6]H)	109.3780	0.285	4	109.3780	0.081	4	109.3780	0.081	4	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]HH)	H(CC[5]C[6]H)	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[5]C[6]H)	109.2420	0.028	2	109.2420	0.001	2	109.1894	0.052	14	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CC[5]HH)	H(CC[5]C[6]H)	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[5]C[6]H)	108.8240	0.024	2	108.8240	0.001	2	109.1894	0.052	14	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]HH)	H(CC[5]C[6]H)	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[5]C[6]H)	109.1160	0.236	4	109.1160	0.056	4	109.1894	0.052	14	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[5]C[5]2Ir)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[5]HH)	H(CC[5]C[6]H)	C(C[6]C[6]N[6])(C[5]C[5]2Ir)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[5]C[6]H)	109.3425	0.119	6	109.3425	0.014	6	109.1894	0.052	14	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH){1|C<3>,3|C<4>,3|H<1>}	H(CC[6]2H)	108.9115	0.026	2	108.9115	0.001	2	108.9115	0.001	2	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6]C[6]2Cr)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])(C[6]C[6]2Cr)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	108.1315	0.080	2	108.1315	0.006	2	108.6453	0.315	10	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	108.2880	0.006	2	108.2880	0.000	2	108.6453	0.315	10	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	108.2395	0.045	2	108.2395	0.002	2	108.6453	0.315	10	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6]C[6]2Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6])(C[6]C[6]2Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	109.2837	0.163	4	109.2837	0.027	4	108.6453	0.315	10	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:Ge-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(GeC3)(H)2	C[6](C[6]C[6]H)2(CGeHH)	H(CC[6]GeH)	C(C[6]C[6]2)(GeC3)(H)2	C[6](C[6]C[6]H)2(CGeHH){1|N<3>,2|H<1>}	H(CC[6]GeH)	109.8235	0.076	2	109.8235	0.006	2	109.8235	0.006	2	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:Ge-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(GeC3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CGeHH)	H(CC[6]GeH)	C(C[6]C[6]N[6])(GeC3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CGeHH){1|C<3>,2|H<1>}	H(CC[6]GeH)	109.5840	0.038	2	109.5840	0.001	2	109.5840	0.001	2	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(NH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6,6a]C[6])(NH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHHN){1|C<2>,2|C<3>,2|H<1>}	H(CC[6]HN)	108.3495	0.701	2	108.3495	0.491	2	108.3495	0.491	2	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(NC[6]CdC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cd)(CHHN)	H(CC[6]HN)	C(C[6]C[6,6a]N[6])(NC[6]CdC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cd)(CHHN){2|H<1>,3|C<3>}	H(CC[6]HN)	108.8419	0.236	16	108.8419	0.055	16	109.0791	0.579	82	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(NCdCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cd)(CHHN)	H(CC[6]HN)	C(C[6]C[6,6a]N[6])(NCdCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cd)(CHHN){2|H<1>,3|C<3>}	H(CC[6]HN)	109.0103	0.378	14	109.0103	0.143	14	109.0791	0.579	82	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(NCoCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(CHHN)	H(CC[6]HN)	C(C[6]C[6,6a]N[6])(NCoCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(CHHN){2|H<1>,3|C<3>}	H(CC[6]HN)	108.6230	0.000	1	108.6230	0.000	1	109.0791	0.579	82	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(NMnCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN)	H(CC[6]HN)	C(C[6]C[6,6a]N[6])(NMnCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN){2|H<1>,3|C<3>}	H(CC[6]HN)	109.5528	0.245	12	109.5528	0.060	12	109.0791	0.579	82	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(NReCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Re)(CHHN)	H(CC[6]HN)	C(C[6]C[6,6a]N[6])(NReCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Re)(CHHN){1|H<1>,4|C<3>}	H(CC[6]HN)	109.0581	0.561	8	109.0581	0.315	8	109.0791	0.579	82	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(NZnCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN)	H(CC[6]HN)	C(C[6]C[6,6a]N[6])(NZnCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN){2|H<1>,3|C<3>}	H(CC[6]HN)	109.0694	1.118	31	109.0694	1.250	31	109.0791	0.579	82	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NAgCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NAgCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ag<4>,1|C<3>,1|H<1>}	H(CC[6]HN)	109.3280	0.151	4	109.3280	0.023	4	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.4375	0.009	2	108.4423	0.018	18	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Cu<5>,1|C<3>,1|H<1>}	H(CC[6]HN)	108.4429	0.142	16	108.4423	0.018	18	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.0643	0.084	4	109.0643	0.007	4	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]O[6]O)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]O[6]O)2(CHHN){1|C<4>}	H(CC[6]HN)	113.0280	0.569	2	113.0280	0.323	2	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|C<2>,1|C<4>,2|C<3>}	H(CC[6]HN)	109.2980	5.424	2	112.1495	21.831	4	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|H<1>,4|C<3>}	H(CC[6]HN)	115.0010	1.885	2	112.1495	21.831	4	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6]HN)	110.5510	1.908	2	109.5979	1.065	7	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	109.3497	0.190	3	109.5979	1.065	7	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){2|Cl<1>,1|C<3>}	H(CC[6]HN)	109.0170	0.011	2	109.5979	1.065	7	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.4296	0.266	15	109.4296	0.071	15	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|C<2>,2|C<4>}	H(CC[6]HN)	114.2485	8.332	2	109.9678	6.987	17	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	H(CC[6]HN)	109.3971	0.245	15	109.9678	6.987	17	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1867	0.380	7	109.1867	0.144	7	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NC[6]HH)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NC[6]HH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	H(CC[6]HN)	108.8157	0.247	6	108.8157	0.061	6	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCoHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCoHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Co<4>,1|C<3>,1|H<1>}	H(CC[6]HN)	108.7870	0.041	2	108.7870	0.002	2	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCoHH)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCoHH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	H(CC[6]HN)	108.2280	0.000	1	108.2280	0.000	1	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.8815	0.497	4	109.3256	0.120	28	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3996	0.263	24	109.3256	0.120	28	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	H(CC[6]HN)	109.2793	0.534	24	109.2793	0.285	24	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NZnCH)(H)2	C[6](C[6]C[6]H)2(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NZnCH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	H(CC[6]HN)	108.8872	0.268	4	108.8872	0.072	4	109.3751	1.985	143	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.4450	0.044	2	108.4450	0.002	2	109.1713	0.746	101	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.8780	0.000	1	108.8780	0.000	1	109.1713	0.746	101	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.9375	0.012	2	108.9375	0.000	2	109.1713	0.746	101	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCCV)(H)2	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCCV)(H)2	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3076	1.304	38	109.3076	1.701	38	109.1713	0.746	101	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.8050	0.021	2	108.8050	0.000	2	109.1713	0.746	101	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]HH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]HH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3965	0.124	2	109.3965	0.015	2	109.1713	0.746	101	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6,6a]H)(N[6]C[6]Co)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6,6a]H)(N[6]C[6]Co)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.2425	0.040	2	109.2272	0.001	4	109.1713	0.746	101	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6,6a]H)(N[6]C[6]Co)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6,6a]H)(N[6]C[6]Co)(CHHN){3|C<3>}	H(CC[6]HN)	109.2120	0.042	2	109.2272	0.001	4	109.1713	0.746	101	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	108.3450	0.038	2	108.3450	0.001	2	109.1713	0.746	101	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2317	0.299	44	109.2317	0.090	44	109.1713	0.746	101	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.3195	0.091	2	108.3195	0.008	2	109.1713	0.746	101	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.0675	0.012	2	108.0675	0.000	2	109.1713	0.746	101	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NBaCC)(H)2	C[6](N[6]C[6,6a]Ba)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NBaCC)(H)2	C[6](N[6]C[6,6a]Ba)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.6780	0.000	1	108.6780	0.000	1	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[5,6]RuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5,6]RuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.7627	1.677	4	109.7627	2.811	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]CdC)(H)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]CdC)(H)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.1863	0.067	3	109.1863	0.005	3	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]CdH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]CdH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3480	0.042	2	109.1332	0.056	5	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]CdH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]CdH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.9900	0.185	3	109.1332	0.056	5	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]CoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]CoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	110.5320	0.065	2	110.5320	0.004	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]CuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]CuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.9307	0.364	6	109.0523	0.101	10	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]CuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]CuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.2347	0.092	4	109.0523	0.101	10	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.4330	0.460	7	109.3764	0.112	27	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2161	0.125	15	109.3764	0.112	27	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.7782	0.223	5	109.3764	0.112	27	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]HgH)(H)2	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]HgH)(H)2	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3470	0.021	2	109.3470	0.000	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]MnC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]MnC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1658	0.250	14	109.1658	0.062	14	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]MnH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]MnH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3535	0.023	2	109.3535	0.001	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]NiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]NiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1887	0.404	17	109.1887	0.164	17	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]RuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]RuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.6517	0.064	3	109.6517	0.004	3	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]ZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]ZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3612	0.165	6	109.3612	0.027	6	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]ZnH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]ZnH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3130	0.021	2	109.3130	0.000	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]CdC)(H)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]CdC)(H)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.6925	0.511	4	108.6925	0.261	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]CdC)(H)2	C[6](N[6]C[6]Cd)(C[6]N[6]C)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]CdC)(H)2	C[6](N[6]C[6]Cd)(C[6]N[6]C)(CHHN){1|C<3>,1|C<4>}	H(CC[6]HN)	109.3435	0.005	2	109.3435	0.000	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]CdH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]CdH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.6905	0.018	2	109.6905	0.000	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]CoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]CoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	110.1250	0.044	3	110.1250	0.002	3	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.9400	0.515	4	109.1818	0.186	67	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1971	0.426	63	109.1818	0.186	67	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]FeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]FeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.6687	0.123	3	109.6687	0.015	3	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]FeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]FeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.3907	0.158	4	108.7914	0.255	11	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]FeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]FeH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.4489	0.191	7	108.7914	0.255	11	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]MnC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]MnC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.7988	0.131	6	109.7988	0.017	6	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]MnH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]MnH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.9620	0.912	4	108.9620	0.832	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]NiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]NiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1382	0.533	21	109.1382	0.284	21	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]NiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]NiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HN)	109.2552	0.227	5	109.3333	0.040	9	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]NiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]NiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.4310	0.119	4	109.3333	0.040	9	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.8060	0.242	4	109.2155	0.308	11	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.0564	0.198	5	109.2155	0.308	11	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.4320	0.006	2	109.2155	0.308	11	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]PtH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]PtH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.5073	0.140	12	109.5073	0.020	12	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]ReH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]ReH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.7965	0.019	2	109.7965	0.000	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]RhH)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]RhH)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.0153	0.083	4	109.0153	0.007	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]RuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]RuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.9680	0.404	4	108.9680	0.163	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.0058	0.082	4	109.0611	0.058	8	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.8170	0.040	2	109.0611	0.058	8	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.4160	0.013	2	109.0611	0.058	8	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Sn2)(H)2	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Sn2)(H)2	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.2295	0.241	4	109.2295	0.058	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]ZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]ZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.0350	0.058	4	109.4461	0.183	22	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]ZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]ZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.5374	0.420	18	109.4461	0.183	22	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]ZnH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]ZnH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	109.0520	0.116	6	109.0841	0.012	10	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]ZnH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]ZnH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.1322	0.096	4	109.0841	0.012	10	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.0531	1.369	21	108.4646	3.569	23	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN){2|C<3>}	H(CC[6]HN)	112.7845	0.429	2	108.4646	3.569	23	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.0327	0.959	16	109.0327	0.921	16	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCdCH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCdCH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.0295	0.175	4	109.0295	0.031	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.4736	0.317	5	109.4736	0.101	5	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HN)	109.6635	0.013	2	109.6635	0.000	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<2>,1|C<3>,1|H<1>}	H(CC[6]HN)	109.2505	0.033	2	109.4834	0.570	507	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.0742	1.096	101	109.4834	0.570	507	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HN)	109.3550	0.149	4	109.4834	0.570	507	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	109.2828	1.150	25	109.4834	0.570	507	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.6018	0.547	365	109.4834	0.570	507	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6]HN)	109.2070	0.000	1	109.4834	0.570	507	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.9683	0.556	9	109.4834	0.570	507	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.5655	0.314	19	109.7642	0.982	65	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.8616	1.179	44	109.7642	0.982	65	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.5070	0.014	2	109.7642	0.982	65	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.2846	0.487	8	109.5555	0.199	16	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.8264	0.146	8	109.5555	0.199	16	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCrCC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCrCC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.5732	0.364	21	109.5390	0.133	23	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCrCC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCrCC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.1795	0.009	2	109.5390	0.133	23	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCrHH)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCrHH)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.8350	0.017	2	109.8350	0.000	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	109.0769	0.115	8	109.0769	0.013	8	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.3013	0.621	38	109.3013	0.386	38	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HN)	109.3752	0.389	45	109.3752	0.151	45	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.9993	0.687	104	109.4353	0.440	649	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6]HN)	109.4988	0.300	4	109.4353	0.440	649	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HN)	111.1286	1.615	10	109.4353	0.440	649	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	109.7428	0.934	24	109.4353	0.440	649	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HN)	109.3926	0.253	10	109.4353	0.440	649	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.4761	0.536	479	109.4353	0.440	649	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.5263	0.444	18	109.4353	0.440	649	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.9490	1.160	22	109.4667	1.462	40	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.7564	0.198	10	109.4667	1.462	40	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	110.5285	1.343	8	109.4667	1.462	40	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]O)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.4000	0.027	2	109.4000	0.001	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCS)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCS)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.4322	0.118	4	109.4322	0.014	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuHH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuHH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.8091	0.176	20	109.8091	0.031	20	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NEuCC)(H)2	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NEuCC)(H)2	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.0225	0.466	8	109.0225	0.217	8	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	109.4852	0.423	6	109.4852	0.179	6	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.0067	0.308	36	109.0067	0.095	36	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HN)	109.3185	0.023	2	109.3185	0.001	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6]HN)	109.9160	0.954	4	109.3874	0.274	1403	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<2>,1|C<3>,1|H<1>}	H(CC[6]HN)	109.0853	0.047	4	109.3874	0.274	1403	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.3691	0.407	131	109.3874	0.274	1403	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HN)	109.4836	0.057	7	109.3874	0.274	1403	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HN)	109.2373	0.164	4	109.3874	0.274	1403	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6]HN)	109.3826	0.222	16	109.3874	0.274	1403	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HN)	109.7170	0.000	1	109.3874	0.274	1403	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	109.4275	0.234	13	109.3874	0.274	1403	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	H(CC[6]HN)	109.5275	0.042	2	109.3874	0.274	1403	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3903	0.509	1180	109.3874	0.274	1403	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6]HN)	109.4066	0.209	13	109.3874	0.274	1403	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.2701	1.355	28	109.3874	0.274	1403	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.3432	0.727	26	109.4257	0.347	121	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	H(CC[6]HN)	109.3805	0.006	2	109.4257	0.347	121	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.4502	0.556	92	109.4257	0.347	121	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6]HN)	109.4030	0.000	1	109.4257	0.347	121	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeHH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeHH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.2130	1.396	24	109.5359	0.476	124	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeHH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeHH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.6134	0.327	100	109.5359	0.476	124	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NHgCC)(H)2	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NHgCC)(H)2	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.3715	0.011	2	109.3715	0.000	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NHgCC)(H)2	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NHgCC)(H)2	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.9775	0.602	4	108.9775	0.362	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NIr2C)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NIr2C)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1963	0.150	6	109.1963	0.022	6	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.3540	0.466	53	109.2985	0.203	63	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.9376	0.143	7	109.2985	0.203	63	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.1600	0.072	3	109.2985	0.203	63	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NIrCH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NIrCH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.3660	0.355	4	109.4865	0.211	10	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NIrCH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NIrCH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.5668	0.533	6	109.4865	0.211	10	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NIrHH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NIrHH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2300	0.050	3	109.2300	0.003	3	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NLiCC)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NLiCC)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|P<4>}	H(CC[6]HN)	109.6123	0.316	4	109.3966	0.052	14	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NLiCC)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NLiCC)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3103	0.112	10	109.3966	0.052	14	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMgCC)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMgCC)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3384	0.225	8	109.3384	0.051	8	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMn2H)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMn2H)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	110.0010	0.000	1	110.0010	0.000	1	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[3x6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[3x6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.3795	0.191	8	109.3795	0.036	8	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.8991	0.449	32	108.8991	0.202	32	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.2912	0.824	47	109.2483	0.800	418	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HN)	108.4385	0.945	2	109.2483	0.800	418	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	107.4375	1.884	2	109.2483	0.800	418	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HN)	108.9280	0.159	4	109.2483	0.800	418	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6]HN)	113.0335	0.845	2	109.2483	0.800	418	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2372	0.846	353	109.2483	0.800	418	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.3521	1.053	8	109.2483	0.800	418	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.4985	0.299	33	109.4798	0.082	64	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.4463	0.281	29	109.4798	0.082	64	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.6585	0.033	2	109.4798	0.082	64	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCS)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCS)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1584	0.184	7	109.1584	0.034	7	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnHH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnHH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	110.5150	4.858	2	110.5150	23.598	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMoCC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMoCC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3738	0.460	11	109.3738	0.211	11	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNi2C)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNi2C)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1333	0.249	4	109.1333	0.062	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.1367	0.075	3	109.1367	0.006	3	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.2003	0.453	3	109.2003	0.205	3	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.1323	0.596	104	109.2631	0.580	411	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HN)	108.0320	1.042	2	109.2631	0.580	411	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	109.3209	0.619	14	109.2631	0.580	411	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2721	0.731	251	109.2631	0.580	411	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.5881	1.161	40	109.2631	0.580	411	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.2506	0.225	77	109.2355	0.075	114	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HN)	109.0695	0.056	4	109.2355	0.075	114	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2185	0.384	31	109.2355	0.075	114	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.2515	0.026	2	109.2355	0.075	114	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiHH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiHH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	105.2777	3.173	8	106.0912	10.774	10	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiHH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiHH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3450	0.000	2	106.0912	10.774	10	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NOsCC)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NOsCC)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.8008	0.588	32	108.8621	0.400	38	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NOsCC)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NOsCC)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1888	0.813	6	108.8621	0.400	38	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NOsCH)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NOsCH)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.9090	0.094	4	109.9090	0.009	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPdCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPdCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.8244	0.471	44	109.1167	0.447	69	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPdCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPdCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.6310	0.660	25	109.1167	0.447	69	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPdCH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPdCH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.0753	0.183	6	109.0753	0.033	6	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.6535	0.050	2	109.6535	0.003	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HN)	109.5000	0.034	2	109.5000	0.001	2	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.5576	0.232	20	109.5576	0.054	20	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPtCH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPtCH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.6718	0.057	4	108.6718	0.003	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPtHH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPtHH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.5667	0.038	4	109.4710	0.047	9	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPtHH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPtHH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3944	0.278	5	109.4710	0.047	9	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.0912	0.536	17	109.0912	0.287	17	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.8625	0.026	2	109.1628	0.473	70	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1422	0.687	68	109.1628	0.473	70	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NReCH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NReCH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.3511	0.154	10	109.3511	0.024	10	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NReCS)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NReCS)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2995	0.609	11	109.2995	0.370	11	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NReHH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NReHH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.5695	0.174	4	109.5695	0.030	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.1091	0.171	13	109.3281	0.576	31	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.5302	1.100	14	109.3281	0.576	31	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.3323	0.056	4	109.3281	0.576	31	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRhCH)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRhCH)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.4682	0.446	10	109.2387	0.291	14	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRhCH)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRhCH)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.6650	0.227	4	109.2387	0.291	14	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.9368	0.847	16	109.1383	0.752	63	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1886	0.887	45	109.1383	0.752	63	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.6185	0.006	2	109.1383	0.752	63	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuCH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuCH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.2600	0.235	6	109.5946	0.223	16	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuCH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuCH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.7953	0.471	10	109.5946	0.223	16	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuHH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuHH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.6742	0.258	10	109.6491	0.051	14	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuHH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuHH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.5865	0.109	4	109.6491	0.051	14	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NSiZn2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NSiZn2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.4900	0.000	1	108.4900	0.000	1	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NTcCC)(H)2	C[6](N[6]C[6]Tc)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NTcCC)(H)2	C[6](N[6]C[6]Tc)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.6726	1.715	8	109.6726	2.942	8	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NTcCH)(H)2	C[6](N[6]C[6]Tc)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NTcCH)(H)2	C[6](N[6]C[6]Tc)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.0370	0.020	3	109.0370	0.000	3	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NYbCC)(H)2	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NYbCC)(H)2	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.3664	0.139	10	109.3664	0.019	10	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZn2C)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZn2C)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.0755	1.359	30	109.0755	1.846	30	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.0127	1.213	35	109.0127	1.471	35	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.0705	0.486	4	109.3141	0.453	313	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HN)	109.7903	1.763	6	109.3141	0.453	313	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	109.3920	0.253	37	109.3141	0.453	313	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|P<3>}	H(CC[6]HN)	109.4850	0.170	8	109.3141	0.453	313	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2926	0.694	243	109.3141	0.453	313	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.2527	0.524	15	109.3141	0.453	313	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	108.9567	2.358	10	109.1603	1.221	51	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.2359	0.376	39	109.1603	1.221	51	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	108.7055	2.142	2	109.1603	1.221	51	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]O)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.0733	0.059	4	109.0733	0.004	4	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnHH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnHH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.3878	4.585	6	109.2911	9.564	12	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnHH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnHH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HN)	109.1870	0.017	2	109.2911	9.564	12	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnHH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnHH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1980	0.006	4	109.2911	9.564	12	109.3418	0.528	5545	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[3]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[3]C[3]2Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[3]HH)	H(CC[6]N[3]H)	C(C[6]C[6]N[6])(N[3]C[3]2Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[3]HH){1|C<3>,2|H<1>}	H(CC[6]N[3]H)	110.2564	0.269	7	110.2564	0.072	7	110.2564	0.072	7	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[3x6]H)(N[6]C[6]Fe)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[3x6]H)(N[6]C[6]Fe)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.3323	0.187	8	109.3323	0.035	8	109.3695	0.039	12	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](C[6]C[6,6a]H)(N[6]C[6]Mn)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](C[6]C[6,6a]H)(N[6]C[6]Mn)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6]N[5]H)	109.4440	0.227	4	109.4440	0.052	4	109.3695	0.039	12	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Cd)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Cd)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	113.6825	0.045	2	113.6825	0.002	2	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.4516	0.107	10	109.4516	0.012	10	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6]N[5]H)	109.0340	0.056	3	109.0340	0.003	3	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N[5]H)	110.0175	0.229	4	110.0175	0.053	4	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.5948	0.238	17	109.5270	0.135	45	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N[5]H)	109.4055	0.106	4	109.5270	0.135	45	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.4582	0.457	22	109.5270	0.135	45	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6]N[5]H)	109.9495	0.064	2	109.5270	0.135	45	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Mg)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Mg)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.9850	0.089	2	109.9850	0.008	2	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N[5]H)	109.3100	0.033	3	109.4376	0.029	7	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N[5]H)	109.5333	0.171	4	109.4376	0.029	7	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.4294	0.278	8	109.4294	0.077	8	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Mo)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Mo)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.4060	0.093	6	109.4060	0.009	6	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6]N[5]H)	109.1640	0.198	4	109.1640	0.039	4	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[5]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	109.7806	0.056	5	109.7806	0.003	5	109.5961	0.467	96	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[6]H)	109.6065	0.036	4	109.6137	0.001	6	109.3090	0.131	48	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Co)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[6]H)	109.6280	0.013	2	109.6137	0.001	6	109.3090	0.131	48	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[6]H)	109.0125	0.194	6	109.1873	0.097	24	109.3090	0.131	48	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[6]H)	109.2292	0.329	17	109.1873	0.097	24	109.3090	0.131	48	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|H<1>,2|C<3>}	H(CC[6]N[6]H)	109.5220	0.000	1	109.1873	0.097	24	109.3090	0.131	48	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Mn)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Mn)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[6]H)	109.5910	0.333	4	109.5920	0.052	8	109.3090	0.131	48	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Mn)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Mn)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[6]H)	109.5930	0.098	4	109.5920	0.052	8	109.3090	0.131	48	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[6]H)	108.3450	0.018	2	108.3450	0.000	2	109.3090	0.131	48	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Zn)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Zn)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]N[6]H)	109.4170	0.107	3	109.4038	0.009	8	109.3090	0.131	48	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:N[6]-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Zn)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Zn)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N[6]H)	109.3958	0.096	5	109.4038	0.009	8	109.3090	0.131	48	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:O-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OCo3)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCo3)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.3991	0.130	8	109.3991	0.017	8	109.4946	0.049	72	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:O-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OFe3)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OFe3)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.6110	0.127	4	109.6110	0.016	4	109.4946	0.049	72	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:O-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OMn3)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMn3)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.6025	0.008	2	109.6025	0.000	2	109.4946	0.049	72	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:O-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HO)	109.5101	0.278	20	109.4961	0.055	58	109.4946	0.049	72	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:O-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HO)	109.3169	0.162	7	109.4961	0.055	58	109.4946	0.049	72	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:O-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6]HO)	109.5182	0.208	29	109.4961	0.055	58	109.4946	0.049	72	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:O-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6]HO)	109.6625	0.013	2	109.4961	0.055	58	109.4946	0.049	72	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(PC[6a]2Rh)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP)	H(CC[6]HP)	C(C[6]C[6,6a]N[6])(PC[6a]2Rh)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP){1|Rh<4>,1|H<1>,3|C<3>}	H(CC[6]HP)	109.3705	1.156	2	109.2348	0.292	8	109.2348	0.292	8	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(PC[6a]2Rh)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP)	H(CC[6]HP)	C(C[6]C[6,6a]N[6])(PC[6a]2Rh)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP){1|Rh<6>,1|H<1>,3|C<3>}	H(CC[6]HP)	109.1895	0.363	6	109.2348	0.292	8	109.2348	0.292	8	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(PC[6a]3)(H)2	C[6](C[6]C[6]H)2(CHHP)	H(CC[6]HP)	C(C[6]C[6]2)(PC[6a]3)(H)2	C[6](C[6]C[6]H)2(CHHP){1|N<3>,2|H<1>}	H(CC[6]HP)	109.9555	1.322	2	109.9555	1.747	2	108.9735	0.359	14	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	108.6220	0.000	1	108.6220	0.000	1	108.9735	0.359	14	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]H)2(CHHP)	H(CC[6]HP)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]HP)	108.7579	0.264	8	108.8269	0.063	11	108.9735	0.359	14	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]H)2(CHHP)	H(CC[6]HP)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]H)2(CHHP){1|H<1>,1|N<3>,1|P<4>}	H(CC[6]HP)	109.0110	0.027	3	108.8269	0.063	11	108.9735	0.359	14	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCCW)(H)2	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCCW)(H)2	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	108.7890	0.110	4	108.7890	0.012	4	108.8151	0.463	23	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.6300	0.044	2	109.6300	0.002	2	108.8151	0.463	23	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.7632	0.035	4	108.9937	1.422	6	108.8151	0.463	23	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	107.4545	0.005	2	108.9937	1.422	6	108.8151	0.463	23	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2W)(H)2	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2W)(H)2	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	108.6609	0.299	8	108.6609	0.090	8	108.8151	0.463	23	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PO3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PO3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	108.4780	0.011	2	108.4780	0.000	2	108.8151	0.463	23	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PO3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PO3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	108.1260	0.000	1	108.1260	0.000	1	108.8151	0.463	23	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PAgCC)(H)2	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PAgCC)(H)2	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	108.7873	0.032	4	108.7873	0.001	4	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6]2Fe)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6]2Fe)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.9201	0.669	15	109.9201	0.447	15	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6]2Mo)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6]2Mo)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	99.1198	0.243	2	99.1198	0.059	2	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6]2Re)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6]2Re)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.7770	0.105	4	109.7770	0.011	4	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6]2Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6]2Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.5713	0.129	3	109.5713	0.017	3	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Co)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Co)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.9355	0.127	8	109.9355	0.016	8	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Cr)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Cr)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.5431	0.272	8	109.5431	0.074	8	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Cu)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.7231	0.235	7	109.7231	0.055	7	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Fe)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Fe)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	110.3685	0.381	13	110.3685	0.145	13	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Ir)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Ir)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.1322	0.112	4	109.6255	0.578	8	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Ir)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Ir)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	110.1188	0.829	4	109.6255	0.578	8	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Mn)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Mn)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.8210	0.023	2	109.8210	0.001	2	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Mo)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Mo)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	107.8331	2.568	17	107.8331	6.597	17	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2N)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2N)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	110.1620	0.055	2	110.1620	0.003	2	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Ni)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	110.4110	0.054	2	110.4110	0.003	2	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.0500	0.028	2	109.0500	0.001	2	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHP){2|O<1>,4|C<3>}	H(CC[6]HP)	108.6598	0.028	4	108.6598	0.001	4	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Os)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Os)(H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.5438	0.070	4	109.5438	0.005	4	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	110.1447	0.306	6	109.9827	0.203	12	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|C<3>,2|C<4>}	H(CC[6]HP)	109.1295	0.047	2	109.9827	0.203	12	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	110.1662	0.071	4	109.9827	0.203	12	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Re)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Re)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.0182	0.312	4	109.0182	0.097	4	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.6814	0.156	8	109.6814	0.024	8	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.4280	0.045	2	109.7795	0.165	4	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	110.1310	0.014	2	109.7795	0.165	4	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.5697	2.509	6	109.5697	6.296	6	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.7502	0.219	6	109.7008	0.067	10	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HP)	109.6268	0.331	4	109.7008	0.067	10	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]CrC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]CrC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.4659	0.572	22	109.4659	0.327	22	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]IrC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]IrC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.5284	0.410	14	109.5284	0.168	14	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]PdC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]PdC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.8216	0.663	21	109.8216	0.439	21	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]RhC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]RhC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.3734	0.274	5	109.3734	0.075	5	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]RuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]RuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HP)	110.2027	0.635	4	110.2027	0.403	4	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	108.8357	1.273	3	108.8357	1.622	3	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|B<3>,1|C<3>,1|C<4>}	H(CC[6]HP)	109.7683	0.227	11	109.8391	0.060	76	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.8376	0.268	54	109.8391	0.060	76	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HP)	109.9483	0.119	4	109.8391	0.060	76	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.8989	0.041	7	109.8391	0.060	76	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCrCC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCrCC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.5335	0.462	4	109.1978	0.399	6	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCrCC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCrCC)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	108.5265	0.060	2	109.1978	0.399	6	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.0002	0.105	4	108.5425	0.179	12	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	108.3136	0.312	8	108.5425	0.179	12	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.7019	1.348	18	109.5997	1.068	32	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.4682	0.371	14	109.5997	1.068	32	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHHP){1|C<3>,1|C<4>}	H(CC[6]HP)	109.5966	0.458	7	109.7433	0.154	12	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHHP){1|Fe<6>,2|C<3>}	H(CC[6]HP)	109.9488	0.138	5	109.7433	0.154	12	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.3954	0.921	60	109.4146	1.091	72	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]HP)	109.3740	0.090	4	109.4146	1.091	72	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.3893	0.052	4	109.4146	1.091	72	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.7698	2.992	4	109.4146	1.091	72	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.7196	0.389	17	109.7055	0.115	23	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PMnCC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.6655	0.143	6	109.7055	0.115	23	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	105.0488	4.429	46	105.0860	20.497	82	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HP)	109.0590	0.081	4	105.0860	20.497	82	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,2|C<4>}	H(CC[6]HP)	104.6283	4.766	23	105.0860	20.497	82	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<4>,2|C<3>}	H(CC[6]HP)	104.6799	5.103	9	105.0860	20.497	82	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.7734	0.189	18	109.7631	0.046	21	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.2560	0.000	1	109.7631	0.046	21	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.9240	0.054	2	109.7631	0.046	21	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PPdCC)(H)2	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PPdCC)(H)2	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.0144	0.215	14	109.0144	0.046	14	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PPdCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PPdCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.1626	0.167	17	109.1064	0.032	26	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PPdCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PPdCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.0002	0.157	9	109.1064	0.032	26	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PPtCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PPtCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.3317	0.398	12	109.2655	0.112	21	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PPtCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PPtCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.2840	0.182	6	109.2655	0.112	21	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PPtCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PPtCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	108.9637	0.052	3	109.2655	0.112	21	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PReCC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PReCC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.5367	0.124	18	109.4825	0.042	20	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PReCC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PReCC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	108.9950	0.008	2	109.4825	0.042	20	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PRhCC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PRhCC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.2629	0.888	103	109.2629	0.789	103	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HP)	109.6443	0.336	6	109.6443	0.113	6	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]HP)	109.7730	0.000	1	109.8445	0.150	4	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.8683	0.471	3	109.8445	0.150	4	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.4237	0.623	54	109.3647	0.328	70	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HP)	109.3790	0.033	3	109.3647	0.328	70	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.1162	0.292	13	109.3647	0.328	70	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	108.7372	0.537	9	108.7811	0.276	10	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6]HP)	109.1760	0.000	1	108.7811	0.276	10	109.0025	4.602	828	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:S-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]OO)(H)2	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]OO)(H)2	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(CHHS){2|C<3>,2|H<1>}	H(CC[6]HS)	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:S-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SCu2C)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCu2C)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.2514	0.119	7	109.2514	0.014	7	109.2779	0.013	9	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:S-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SRhCO)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SRhCO)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HS)	109.3705	0.009	2	109.3705	0.000	2	109.2779	0.013	9	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(SiC3)(H)2	C[6](C[6]C[6]H)2(CSiHH)	H(CC[6]SiH)	C(C[6]C[6]2)(SiC3)(H)2	C[6](C[6]C[6]H)2(CSiHH){1|N<3>,2|H<1>}	H(CC[6]SiH)	108.6748	0.757	4	108.6748	0.574	4	108.6748	0.574	4	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:Si-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SiC3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CSiHH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiC3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CSiHH){1|C<3>,2|H<1>}	H(CC[6]SiH)	107.8575	0.033	2	107.8575	0.001	2	107.8575	0.001	2	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:Si-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SiC3)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiC3)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<5>,1|H<1>}	H(CC[6]SiH)	107.5350	0.041	2	107.5350	0.002	2	108.9945	0.368	21	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:Si-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SiC[6a]2C)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CSiHH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiC[6a]2C)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CSiHH){1|C<3>,2|H<1>}	H(CC[6]SiH)	108.7070	0.140	7	108.7070	0.020	7	108.9945	0.368	21	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:Si-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SiIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSiHH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiIrCC)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]SiH)	109.4425	0.193	6	109.4425	0.037	6	108.9945	0.368	21	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:Si-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SiRhCC)(H)2	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(CSiHH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiRhCC)(H)2	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(CSiHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]SiH)	109.5470	0.000	1	109.5470	0.000	1	108.9945	0.368	21	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:Si-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SiRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]SiH)	109.3326	0.182	5	109.3326	0.033	5	108.9945	0.368	21	109.1571	1.517	8851	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[4,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[4,6]C[6])(CCHH)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	H(CC[6]CH)	C(C[6]C[4,6]C[6])(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>}	H(CC[6]CH)	109.0485	0.059	2	109.0485	0.003	2	109.0755	0.016	15	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[4,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[4,6]C[6])(CH3)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	H(CC[6]CH)	C(C[6]C[4,6]C[6])(CH3)(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>}	H(CC[6]CH)	109.0967	0.124	12	109.0797	0.018	13	109.0755	0.016	15	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[4,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[4,6]C[6])(CH3)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	H(CC[6]CH)	C(C[6]C[4,6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	108.8760	0.000	1	109.0797	0.018	13	109.0755	0.016	15	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(CH3)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	109.1770	0.038	2	109.1770	0.001	2	109.1770	0.001	2	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(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>}	H(CC[6]CH)	108.8390	0.011	2	108.8390	0.000	2	108.4477	0.515	6	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(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>}	H(CC[6]CH)	107.5270	0.103	2	107.5270	0.011	2	108.4477	0.515	6	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CCHH)(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>}	H(CC[6]CH)	108.9770	0.008	2	108.9770	0.000	2	108.4477	0.515	6	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	107.9555	0.060	2	107.9555	0.004	2	108.6702	0.294	16	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CClHH)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CClHH)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	H(CC[6]CH)	108.5378	0.533	4	108.5378	0.284	4	108.6702	0.294	16	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH){1|C<6>,2|H<1>,4|B<6>}	H(CC[6]CH)	109.1863	0.225	4	109.1863	0.051	4	108.6702	0.294	16	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH){1|C<4>,3|C<3>}	H(CC[6]CH)	109.1865	0.036	2	109.1865	0.001	2	108.6702	0.294	16	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CHHI)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHI)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	H(CC[6]CH)	108.0780	0.040	2	108.0780	0.002	2	108.6702	0.294	16	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	H(CC[6]CH)	108.6940	0.024	2	108.6940	0.001	2	108.6702	0.294	16	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]N[5,6]C[6])(CCHH)(H)2	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)	H(CC[6]CH)	C(C[6]N[5,6]C[6])(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>}	H(CC[6]CH)	108.8425	0.009	2	108.8425	0.000	2	108.8425	0.000	2	108.8191	0.241	41	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:2:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CHHN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.1830	0.016	2	108.1830	0.000	2	108.1830	0.000	2	108.9951	0.206	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:2:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(NCoCC)(H)2	C[6](C[6]C[6]GdO)(O[6]C[6])(CHHN)	H(CC[6]HN)	C(C[6]C[6]O[6])(NCoCC)(H)2	C[6](C[6]C[6]GdO)(O[6]C[6])(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]HN)	109.1981	0.172	8	109.1981	0.030	8	109.1981	0.030	8	108.9951	0.206	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]2)(CC[5]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH)	H(CC[6]CH)	C(C[6]C[5,6]2)(CC[5]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>}	H(CC[6]CH)	109.1595	0.037	2	109.1595	0.001	2	109.1595	0.001	2	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(CCCH)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CCCH)(H)2	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>}	H(CC[6]CH)	108.4280	0.011	2	108.4280	0.000	2	108.7532	0.199	31	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CC[3x6]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>}	H(CC[6]CH)	109.2862	0.448	4	109.2862	0.200	4	108.7532	0.199	31	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(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>}	H(CC[6]CH)	107.6710	0.004	2	107.6710	0.000	2	108.7532	0.199	31	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	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)	H(CC[6]CH)	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>}	H(CC[6]CH)	108.8669	0.060	8	108.8669	0.004	8	108.7532	0.199	31	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH){4|C<4>,4|H<1>}	H(CC[6]CH)	108.3748	0.513	4	108.3748	0.263	4	108.7532	0.199	31	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(CC[6a]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CC[6a]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>}	H(CC[6]CH)	108.8701	0.050	11	108.8701	0.002	11	108.7532	0.199	31	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(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>}	H(CC[6]CH)	108.3105	0.013	2	108.3105	0.000	2	108.6441	0.651	16	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CCHH)(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>}	H(CC[6]CH)	107.0210	0.270	2	107.0210	0.073	2	108.6441	0.651	16	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(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>}	H(CC[6]CH)	109.1208	0.914	4	109.1208	0.835	4	108.6441	0.651	16	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CC[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CC[5]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>}	H(CC[6]CH)	108.7885	0.224	4	108.7885	0.050	4	108.6441	0.651	16	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CH3)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CH3)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH){2|C<3>,2|C<4>,4|H<1>}	H(CC[6]CH)	108.9035	0.011	2	108.9035	0.000	2	108.6441	0.651	16	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CHHO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CHHO)(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>}	H(CC[6]CH)	109.0995	0.039	2	109.0995	0.002	2	108.6441	0.651	16	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC3)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC3)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]CH)	108.9600	0.083	4	108.9600	0.007	4	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC3)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC3)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	H(CC[6]CH)	107.4295	0.057	2	107.4295	0.003	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCCN)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCCN)(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>}	H(CC[6]CH)	108.0605	0.008	2	108.0605	0.000	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCCO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCCO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	109.2675	0.054	2	109.2675	0.003	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]CH)	108.6590	0.006	2	108.6590	0.000	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(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>}	H(CC[6]CH)	108.7740	0.000	1	108.7740	0.000	1	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(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>}	H(CC[6]CH)	108.8965	0.566	4	108.8965	0.321	4	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.8745	0.023	2	108.8538	0.001	4	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	108.8330	0.038	2	108.8538	0.001	4	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	109.2625	0.029	2	108.9838	0.104	4	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	H(CC[6]CH)	108.7050	0.023	2	108.9838	0.104	4	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|N<3>,4|H<1>}	H(CC[6]CH)	114.3485	0.374	2	114.3485	0.140	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	107.5030	0.006	2	108.4024	0.500	8	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.0575	0.045	2	108.4024	0.500	8	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|C<3>,2|H<1>}	H(CC[6]CH)	109.0245	0.175	4	108.4024	0.500	8	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]CH)	108.1302	0.027	4	108.1302	0.001	4	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]CH)	108.8630	0.027	2	108.8630	0.001	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.9060	0.011	2	108.9060	0.000	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH){4|C<3>}	H(CC[6]CH)	108.2293	0.192	9	108.2293	0.037	9	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|C<4>}	H(CC[6]CH)	110.1690	0.047	2	110.1690	0.002	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	110.7362	1.974	4	110.7362	3.898	4	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHO)(H)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHO)(H)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,1|O<2>}	H(CC[6]CH)	109.6125	0.029	2	109.6125	0.001	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	109.1305	0.021	2	108.7784	0.073	12	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	109.1130	0.052	2	108.7784	0.073	12	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(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>}	H(CC[6]CH)	108.6068	0.112	8	108.7784	0.073	12	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	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>}	H(CC[6]CH)	109.0810	0.021	2	109.0810	0.000	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]CH)	109.0968	0.179	5	109.0968	0.032	5	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]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>}	H(CC[6]CH)	108.8584	0.088	7	108.8584	0.008	7	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCl3)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CCl3)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	108.3445	0.008	2	108.3445	0.000	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]CH)	108.4420	0.011	2	108.4420	0.000	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]CH)	109.4555	0.052	2	109.4555	0.003	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]CH)	109.2512	0.557	4	109.0429	0.269	8	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	H(CC[6]CH)	108.8345	0.448	4	109.0429	0.269	8	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	109.2865	0.013	2	109.2865	0.000	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	H(CC[6]CH)	108.9782	0.748	12	108.9782	0.559	12	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	H(CC[6]CH)	109.2925	0.029	2	109.2925	0.001	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCHH){6|C<3>}	H(CC[6]CH)	108.1930	0.017	2	108.1930	0.000	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CN[5]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]2)(CN[5]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	H(CC[6]CH)	108.7485	0.006	2	108.7485	0.000	2	108.9461	1.020	120	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(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>}	H(CC[6]CH)	108.5855	0.006	2	108.5855	0.000	2	108.5855	0.000	2	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	Ge[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]Ge[5,6]C[6])(CH3)(H)2	C[6](Ge[5,6]C[5,6a]C[6]O[5])(C[6]Ge[6]C)(CCHH)	H(CC[6]CH)	C(C[6]Ge[5,6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	109.5685	0.033	4	109.5685	0.001	4	109.5685	0.001	4	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	Ge[6]-4:C[6]-3:C-4:	C-4:	C(C[6]Ge[6]C[6])(CH3)(H)2	C[6](Ge[6]C[6a]C[6]O)(C[6]Ge[5,6]C)(CCHH)	H(CC[6]CH)	C(C[6]Ge[6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	109.3880	0.305	4	109.3880	0.093	4	109.3880	0.093	4	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	P[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]P[6])(CCHH)(H)2	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(CCHH)	H(CC[6]CH)	C(C[6]C[6]P[6])(CCHH)(H)2	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(CCHH){2|C<4>,4|C<3>}	H(CC[6]CH)	109.0620	0.110	2	109.0620	0.012	2	109.0620	0.012	2	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C-4:	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH)	H(CC[6]CH)	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH){1|Si<4>,1|H<1>,3|C<4>}	H(CC[6]CH)	108.9520	0.013	2	108.9520	0.000	2	109.3798	0.088	12	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C-4:	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH)	H(CC[6]CH)	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH){2|Ge<4>,1|C<3>,1|C<4>}	H(CC[6]CH)	109.4080	0.229	4	109.4080	0.052	4	109.3798	0.088	12	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C-4:	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH)	H(CC[6]CH)	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH){2|Si<4>,1|C<3>,1|C<4>}	H(CC[6]CH)	109.3765	0.231	4	109.3765	0.054	4	109.3798	0.088	12	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C-4:	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH)	H(CC[6]CH)	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH){2|H<1>,3|C<4>}	H(CC[6]CH)	109.7575	0.025	2	109.7575	0.001	2	109.3798	0.088	12	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(C[5]O[5]2C)(H)2	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]O)(CC[5]HH)	H(CC[5]C[6]H)	C(C[6]C[6,6]C[6])(C[5]O[5]2C)(H)2	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]O)(CC[5]HH){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]C[6]H)	108.4020	0.141	3	108.4020	0.020	3	108.4020	0.020	3	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NAgCC)(H)2	C[6](C[6]C[6]AgH)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NAgCC)(H)2	C[6](C[6]C[6]AgH)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.7585	0.029	2	109.7585	0.001	2	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]HN)	109.0325	0.008	2	109.1465	0.017	4	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	H(CC[6]HN)	109.2605	0.018	2	109.1465	0.017	4	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	H(CC[6]HN)	109.4270	0.626	5	109.4270	0.392	5	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NLiCC)(H)2	C[6](C[6]C[6,6a]Li2)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NLiCC)(H)2	C[6](C[6]C[6,6a]Li2)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6]HN)	109.3870	0.042	4	109.3870	0.002	4	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NLiCC)(H)2	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NLiCC)(H)2	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	H(CC[6]HN)	109.1997	0.105	4	109.1976	0.006	8	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NLiCC)(H)2	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NLiCC)(H)2	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	109.1955	0.057	4	109.1976	0.006	8	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NMnCC)(H)2	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NMnCC)(H)2	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	H(CC[6]HN)	108.8115	0.129	4	108.8115	0.017	4	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NNdCC)(H)2	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NNdCC)(H)2	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6]HN)	108.7772	0.123	6	108.7772	0.015	6	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]EuO)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]EuO)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	H(CC[6]HN)	108.8012	0.283	4	108.8012	0.080	4	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]NiH)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]NiH)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HN)	109.7622	0.225	4	109.7622	0.050	4	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]OY)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]OY)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	H(CC[6]HN)	108.5635	0.169	4	108.5635	0.029	4	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NZnCC)(H)2	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN)	H(CC[6]HN)	C(C[6]C[6]2)(NZnCC)(H)2	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6]HN)	109.0932	0.144	11	109.0932	0.021	11	109.1216	0.154	56	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(PC[6a]2Zr)(H)2	C[6](C[5,6]C[5,6]N[5]Zr)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[5,6]C[6])(PC[6a]2Zr)(H)2	C[6](C[5,6]C[5,6]N[5]Zr)(C[6]C[6]H)(CHHP){1|C<4>,3|C<3>}	H(CC[6]HP)	110.2325	0.191	4	110.2325	0.036	4	110.2325	0.036	4	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(PC[6a]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]2)(PC[6a]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP){1|C<4>,4|H<1>}	H(CC[6]HP)	108.9935	0.056	2	108.9935	0.003	2	110.6196	0.922	18	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(PHfCC)(H)2	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]2)(PHfCC)(H)2	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	110.5013	0.068	6	110.5013	0.005	6	110.6196	0.922	18	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(PIrCC)(H)2	C[6](C[6]C[6]Ir2)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]2)(PIrCC)(H)2	C[6](C[6]C[6]Ir2)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	111.9103	1.055	4	111.9103	1.113	4	110.6196	0.922	18	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(PZrCC)(H)2	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]2)(PZrCC)(H)2	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	110.4193	0.083	6	110.4193	0.007	6	110.6196	0.922	18	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:P-4:H-1:H-1:	N[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6]RuB)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](N[6]C[6]RuB)(C[6]C[6]H)(CHHP){1|C<3>,1|N<3>,2|H<1>}	H(CC[6]HP)	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:Si-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(SiC3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CSiHH)	H(CC[6]SiH)	C(C[6]C[6]2)(SiC3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CSiHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]SiH)	108.0680	0.061	2	108.0680	0.004	2	108.0680	0.004	2	109.0929	0.817	277	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[4,6]-4:C[6]-4:C-4:	C-4:	C(C[6]C[4,6]C[6])(CH3)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]CH)(CCHH)	H(CC[6]CH)	C(C[6]C[4,6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	109.2560	0.008	2	109.2560	0.000	2	109.2560	0.000	2	110.6710	2.986	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	4:4:4:	4:	C[6]-3:N-4:H-1:H-1:	S[6]-4:S[6]-4:C-4:	C-4:	C(C[6]S[6]2)(NCCH)(H)2	C[6](S[6]C[6]OO)2(CHHN)	H(CC[6]HN)	C(C[6]S[6]2)(NCCH)(H)2	C[6](S[6]C[6]OO)2(CHHN){1|C<4>,4|F<1>}	H(CC[6]HN)	112.0860	0.974	2	112.0860	0.949	2	112.0860	0.949	2	110.6710	2.986	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	5:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[3x3,4,3x5,15x6]-5:C[6]-3:C-4:	C-4:	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	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)	H(CC[6]CH)	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	109.1600	0.037	4	109.1600	0.001	4	109.0840	0.015	6	109.0840	0.015	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	5:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[3x3,4,3x5,15x6]-5:C[6]-3:C-4:	C-4:	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	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)	H(CC[6]CH)	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	108.9320	0.038	2	108.9320	0.001	2	109.0840	0.015	6	109.0840	0.015	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C-4:	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>,5|B<6>}	H(CC[6]CH)	108.9230	0.000	1	108.4650	0.157	3	108.5818	0.104	5	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C-4:	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|Si<4>,1|C<3>,1|C<4>,3|H<1>,5|B<6>}	H(CC[6]CH)	108.2360	0.016	2	108.4650	0.157	3	108.5818	0.104	5	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C-4:	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(CCHH)	H(CC[6]CH)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(CCHH){1|C<4>,3|H<1>,4|C<3>,5|B<6>}	H(CC[6]CH)	108.7570	0.007	2	108.7570	0.000	2	108.5818	0.104	5	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C-4:	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	H(CC[6]CH)	108.9390	0.024	2	108.9390	0.001	2	109.0106	0.045	8	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C-4:	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH)	H(CC[6]CH)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH){2|C<4>,3|C<3>,3|H<1>,5|B<6>}	H(CC[6]CH)	109.1625	0.188	4	109.1625	0.036	4	109.0106	0.045	8	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C-4:	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]O[6])(CCHH)	H(CC[6]CH)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]O[6])(CCHH){1|C<6>,3|C<3>,4|B<6>,4|H<1>}	H(CC[6]CH)	108.7785	0.006	2	108.7785	0.000	2	109.0106	0.045	8	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[4,6]-3:C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[4,6])(CC[6a]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)	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[4,6])(CC[6a]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>}	H(CC[6]CH)	108.5127	0.447	3	108.5127	0.200	3	108.5127	0.200	3	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH)	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[6])(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>}	H(CC[6]CH)	108.8260	0.098	2	108.8260	0.010	2	108.8867	0.034	23	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	108.8795	0.067	2	108.8795	0.005	2	108.8867	0.034	23	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(CCHH)	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	108.8940	0.017	2	108.8940	0.000	2	108.8867	0.034	23	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	108.9392	0.169	12	108.8938	0.045	17	108.8867	0.034	23	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	108.6263	0.259	3	108.8938	0.045	17	108.8867	0.034	23	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	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>}	H(CC[6]CH)	109.0230	0.025	2	108.8938	0.045	17	108.8867	0.034	23	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:1:1:	6:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[4,6]-3:C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6]C[6]2H)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6]C[6]2H)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6]HH){1|C<3>,2|C<4>,5|B<6>,5|H<1>}	H(CC[6]2H)	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.8297	0.081	40	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:2:4:	4:	C[6]-3:C-4:As-2:H-1:	N[6]-3:N[6]-2:C-4:	C-4:	C(C[6]N[6]2)(CCHH)(AsN)(H)	C[6](N[6]C[6]C)(N[6]C[6])(CAsCH)	H(CC[6]AsC)	C(C[6]N[6]2)(CCHH)(AsN)(H)	C[6](N[6]C[6]C)(N[6]C[6])(CAsCH){1|C<4>,4|H<1>}	H(CC[6]AsC)	111.2630	0.000	1	111.2630	0.000	1	111.2630	0.000	1	109.5890	5.605	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:2:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CCHN)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CCHN)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHO){1|C<3>,1|H<1>}	H(CC[6]CO)	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	109.5890	5.605	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(OSi)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CCHH)(OSi)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	H(CC[6]CO)	108.3770	0.000	1	108.3770	0.000	1	108.8499	4.201	9	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHN)(OH)(H)	C[6](C[6]C[6]H)2(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CCHN)(OH)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<2>,2|H<1>}	H(CC[6]CO)	111.0160	0.000	1	111.0160	0.000	1	108.8499	4.201	9	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	C[6](C[6]C[6]H)2(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	C[6](C[6]C[6]H)2(CCHO){1|N<3>,2|H<1>}	H(CC[6]CO)	109.0835	0.175	2	109.0835	0.031	2	108.8499	4.201	9	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	C[6](C[6]C[6]H)2(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6]CO)	104.0750	0.000	1	104.0750	0.000	1	108.8499	4.201	9	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CF3)(OPd)(H)	C[6](C[6]C[6]H)2(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CF3)(OPd)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	H(CC[6]CO)	111.1290	0.000	1	111.1290	0.000	1	108.8499	4.201	9	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CH3)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CCHO){3|C<3>}	H(CC[6]CO)	108.8095	0.617	2	108.8095	0.381	2	108.8499	4.201	9	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CHHN)(OH)(H)	C[6](C[6]C[6]H)2(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CHHN)(OH)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6]CO)	109.2660	0.000	1	109.2660	0.000	1	108.8499	4.201	9	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCCH)(OH)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(CCCH)(OH)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]CO)	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C-4:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(OC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(CH3)(OC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6]CO)	109.2960	0.000	1	109.2960	0.000	1	109.0933	0.045	3	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C-4:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(ON)(H)	C[6](N[6]C[6]Zn)(C[6]N[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(CH3)(ON)(H)	C[6](N[6]C[6]Zn)(C[6]N[6]H)(CCHO){1|Zn<6>,1|C<3>,1|H<1>}	H(CC[6]CO)	108.9920	0.168	2	108.9920	0.028	2	109.0933	0.045	3	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C[5]-4:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[5]C[5]2Mn)(OC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5]HO)	H(CC[5]C[6]O)	C(C[6]C[6]N[6])(C[5]C[5]2Mn)(OC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5]HO){1|C<3>,2|H<1>}	H(CC[5]C[6]O)	109.3595	0.194	2	109.3595	0.038	2	109.3595	0.038	2	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:N-4:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCH)(OC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHNO)	H(CC[6]NO)	C(C[6]C[6]N[6])(NCoCH)(OC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHNO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]NO)	108.7380	0.000	1	108.7380	0.000	1	109.1637	7.055	7	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:N-4:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCH)(OC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO)	H(CC[6]NO)	C(C[6]C[6]N[6])(NCuCH)(OC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO){1|H<1>,2|C<3>}	H(CC[6]NO)	108.5600	0.000	1	108.5600	0.000	1	109.1637	7.055	7	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:N-4:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCH)(OH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO)	H(CC[6]NO)	C(C[6]C[6]N[6])(NCuCH)(OH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO){1|H<1>,2|C<3>}	H(CC[6]NO)	109.3540	0.000	1	109.3540	0.000	1	109.1637	7.055	7	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:N-4:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCH)(OC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO)	H(CC[6]NO)	C(C[6]C[6]N[6])(NNiCH)(OC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	H(CC[6]NO)	110.4020	6.111	2	110.4020	37.342	2	109.1637	7.055	7	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:N-4:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCH)(OH)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO)	H(CC[6]NO)	C(C[6]C[6]N[6])(NNiCH)(OH)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO){1|H<1>,2|C<3>}	H(CC[6]NO)	108.3710	0.000	1	108.3710	0.000	1	109.1637	7.055	7	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:N-4:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCC)(OH)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHNO)	H(CC[6]NO)	C(C[6]C[6]N[6])(NZnCC)(OH)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	H(CC[6]NO)	108.3190	0.000	1	108.3190	0.000	1	109.1637	7.055	7	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:N[5]-4:S-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Cd)(SC)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HS)	H(CC[6]N[5]S)	C(C[6]C[6]N[6])(N[5]C[5]2Cd)(SC)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HS){1|C<3>,2|H<1>}	H(CC[6]N[5]S)	109.7590	0.000	1	109.7590	0.000	1	109.5935	0.055	2	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:N[5]-4:S-2:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Zn)(SC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HS)	H(CC[6]N[5]S)	C(C[6]C[6]N[6])(N[5]C[5]2Zn)(SC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HS){1|C<3>,2|H<1>}	H(CC[6]N[5]S)	109.4280	0.000	1	109.4280	0.000	1	109.5935	0.055	2	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:P-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(PO3)(OH)(H)	C[6](C[6]C[6]H)2(CHOP)	H(CC[6]OP)	C(C[6]C[6]2)(PO3)(OH)(H)	C[6](C[6]C[6]H)2(CHOP){1|N<3>,2|H<1>}	H(CC[6]OP)	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	109.0514	3.248	25	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:4:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(OSi)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CCHH)(OSi)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO){2|C<3>}	H(CC[6]CO)	108.7720	0.000	1	108.7720	0.000	1	109.3065	0.571	2	109.3065	0.571	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	3:4:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CH3)(OC)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CH3)(OC)(H)	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>}	H(CC[6]CO)	109.8410	0.000	1	109.8410	0.000	1	109.3065	0.571	2	109.3065	0.571	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	4:2:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(OC)(H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(CH3)(OC)(H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CCHO){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]CO)	109.1625	0.391	2	109.1625	0.153	2	109.1625	0.153	2	109.1625	0.153	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	4:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CCHO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CO)	108.6120	0.000	1	108.6120	0.000	1	108.6884	2.897	10	108.6884	2.897	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	4:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	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>}	H(CC[6]CO)	108.4740	0.000	1	108.4740	0.000	1	108.6884	2.897	10	108.6884	2.897	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	4:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){2|C<4>,3|H<1>}	H(CC[6]CO)	107.7870	0.000	1	107.7870	0.000	1	108.6884	2.897	10	108.6884	2.897	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	4:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	H(CC[6]CO)	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>}	H(CC[6]CO)	110.3380	0.000	1	108.7205	8.155	4	108.6884	2.897	10	108.6884	2.897	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	4:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	H(CC[6]CO)	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>,2|C<4>,2|O<2>}	H(CC[6]CO)	109.9140	0.000	1	108.7205	8.155	4	108.6884	2.897	10	108.6884	2.897	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	4:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	H(CC[6]CO)	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|O<2>,2|C<4>,2|H<1>}	H(CC[6]CO)	107.3150	4.059	2	108.7205	8.155	4	108.6884	2.897	10	108.6884	2.897	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	4:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)	H(CC[6]CO)	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>}	H(CC[6]CO)	109.5310	0.000	1	109.5310	0.000	1	108.6884	2.897	10	108.6884	2.897	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:2:1:	4:3:4:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<4>,4|H<1>}	H(CC[6]CO)	108.7990	0.095	2	108.7990	0.009	2	108.6884	2.897	10	108.6884	2.897	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	2:2:4:	4:	C[6]-3:C-4:N-3:H-1:	N[6]-2:O[6]-2:C-4:	C-4:	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	C[6](N[6]C[6])(O[6]C[6])(CCHN)	H(CC[6]CN)	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	C[6](N[6]C[6])(O[6]C[6])(CCHN){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]CN)	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:2:4:	4:	C[6]-3:C-4:N-3:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]HN)(NC[6a]Ni)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	H(CC[6]CN)	C(C[6]C[6]2)(CC[6a]HN)(NC[6a]Ni)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,1|H<1>}	H(CC[6]CN)	107.4830	0.000	1	107.4830	0.000	1	109.3323	2.565	3	108.4944	6.149	5	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:2:4:	4:	C[6]-3:C-4:N-3:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CH3)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	H(CC[6]CN)	C(C[6]C[6]2)(CH3)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	110.2570	0.000	2	110.2570	0.000	2	109.3323	2.565	3	108.4944	6.149	5	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:2:4:	4:	C[6]-3:C-4:N-3:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CCHN){1|C<3>,1|H<1>}	H(CC[6]CN)	104.5730	0.000	1	104.5730	0.000	1	104.5730	0.000	1	108.4944	6.149	5	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:2:4:	4:	C[6]-3:P-4:N-3:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(PO3)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHNP)	H(CC[6]NP)	C(C[6]C[6]2)(PO3)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHNP){1|C<3>,2|H<1>}	H(CC[6]NP)	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	108.4944	6.149	5	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CF3)(COO)(H)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CF3)(COO)(H)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH){1|C<4>,3|C<3>}	H(CC[6]CC)	107.9230	0.000	1	107.9230	0.000	1	107.7055	0.095	2	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<4>,4|H<1>}	H(CC[6]CC)	107.4880	0.000	1	107.4880	0.000	1	107.7055	0.095	2	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C-4:C-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH)	H(CC[6]CC)	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	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>}	H(CC[6]CC)	105.2470	0.000	1	105.2470	0.000	1	105.2470	0.000	1	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C-4:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[6]CN)	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>}	H(CC[6]CN)	109.3503	0.314	3	109.3503	0.099	3	109.3503	0.099	3	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C-4:O-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(OMn2)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(CCHH)(OMn2)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6]CO)	108.5190	0.419	2	108.5190	0.175	2	108.3861	0.594	11	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C-4:O-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(OMnB)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(CCHH)(OMnB)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6]CO)	108.5660	0.000	1	108.5660	0.000	1	108.3861	0.594	11	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C-4:O-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(OMnH)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(CCHH)(OMnH)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6]CO)	109.1010	0.000	1	109.1010	0.000	1	108.3861	0.594	11	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C-4:O-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(ORe2)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(CCHH)(ORe2)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6]CO)	108.3270	0.902	2	108.3270	0.814	2	108.3861	0.594	11	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C-4:O-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(OReC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(CCHH)(OReC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6]CO)	108.5740	0.000	1	108.5740	0.000	1	108.3861	0.594	11	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C-4:O-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(OReH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(CCHH)(OReH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6]CO)	108.0785	1.148	4	108.0785	1.317	4	108.3861	0.594	11	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:N-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6]CN)	116.7590	0.000	1	115.4550	3.401	2	115.4550	3.401	2	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:N-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]CN)	114.1510	0.000	1	115.4550	3.401	2	115.4550	3.401	2	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:N-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]MoH)(CCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]MoH)(CCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	108.7820	0.103	3	108.7820	0.011	3	108.7694	0.006	5	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:N-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]PtH)(CCH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]PtH)(CCH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	108.7540	0.000	1	108.7540	0.000	1	108.7694	0.006	5	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:N-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMoCH)(CCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NMoCH)(CCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	108.7470	0.000	1	108.7470	0.000	1	108.7694	0.006	5	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:N-4:C[5]-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]MoH)(C[5]N[5]2)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[5]HN)	H(CC[5]C[6]N)	C(C[6]C[6]N[6])(NC[6a]MoH)(C[5]N[5]2)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[5]HN){1|C<3>,2|H<1>}	H(CC[5]C[6]N)	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:N-4:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]FeH)(NC[6a]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNN)	H(CC[6]NN)	C(C[6]C[6]N[6])(NC[6a]FeH)(NC[6a]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNN){1|C<3>,2|H<1>}	H(CC[6]NN)	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:P-4:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP)	H(CC[6]CP)	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CP)	108.4345	0.002	2	108.4345	0.000	2	108.4345	0.000	2	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:P-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PMnCC)(CCN)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP)	H(CC[6]CP)	C(C[6]C[6]N[6])(PMnCC)(CCN)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CP)	113.2530	0.000	1	113.2530	0.000	1	113.0114	0.363	7	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:P-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PReCC)(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	H(CC[6]CP)	C(C[6]C[6]N[6])(PReCC)(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CP)	113.3907	0.672	3	113.3907	0.452	3	113.0114	0.363	7	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:P-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PReCC)(COO)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	H(CC[6]CP)	C(C[6]C[6]N[6])(PReCC)(COO)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CP)	112.8670	0.000	1	112.8670	0.000	1	113.0114	0.363	7	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:P-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PRuCC)(CNO)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP)	H(CC[6]CP)	C(C[6]C[6]N[6])(PRuCC)(CNO)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CP)	112.3940	0.042	2	112.3940	0.002	2	113.0114	0.363	7	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:P-4:P-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Fe)(PC[6a]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP)	H(CC[6]PP)	C(C[6]C[6]N[6])(PC[6a]2Fe)(PC[6a]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP){1|C<3>,2|H<1>}	H(CC[6]PP)	122.2030	0.000	1	122.2030	0.000	1	111.6333	83.789	3	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:P-4:P-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PCoCC)(PCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHPP)	H(CC[6]PP)	C(C[6]C[6]N[6])(PCoCC)(PCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHPP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]PP)	106.3380	0.000	1	106.3380	0.000	1	111.6333	83.789	3	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:P-4:P-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PFeCC)(PCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP)	H(CC[6]PP)	C(C[6]C[6]N[6])(PFeCC)(PCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]PP)	106.3590	0.000	1	106.3590	0.000	1	111.6333	83.789	3	110.0160	10.602	38	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:Si-4:C[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(C[6]C[6]2)(H)	C[6](CC[6a]SiH)(C[6]C[6]H)2	H(CC[6a]C[6]Si)	C(C[6a]C[6a]2)(SiC[6a]CC)(C[6]C[6]2)(H)	C[6](CC[6a]SiH)(C[6]C[6]H)2{1|C<3>,2|C<4>}	H(CC[6a]C[6]Si)	105.0455	0.197	2	105.0455	0.039	2	105.0455	0.039	2	105.0455	0.039	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CCHH)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]CC)	107.5140	0.000	1	107.5140	0.000	1	107.7163	0.049	4	108.7917	6.122	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.5890	0.000	1	107.5890	0.000	1	107.7163	0.049	4	108.7917	6.122	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,4|H<1>}	H(CC[6]CC)	107.8810	0.187	2	107.8810	0.035	2	107.7163	0.049	4	108.7917	6.122	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6]-3:C-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]2)(CH3)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<4>,4|H<1>}	H(CC[6]CN)	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	108.7917	6.122	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6]-3:N-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(NH3)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]2)(NH3)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<3>,3|H<1>}	H(CC[6]CN)	113.8220	0.000	1	113.8220	0.000	1	113.8220	0.000	1	108.7917	6.122	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	2:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-2:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6])2(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6])2(CCCH){1|C<3>,2|C<4>}	H(CC[6]CC)	107.5960	0.113	2	107.5960	0.013	2	107.5960	0.013	2	107.6480	0.015	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	2:2:4:	4:	C[6]-3:C-4:C-4:H-1:	N[6]-2:O[6]-2:C-4:	C-4:	C(C[6]N[6]O[6])(CH3)2(H)	C[6](N[6]C[6,6])(O[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]N[6]O[6])(CH3)2(H)	C[6](N[6]C[6,6])(O[6]C[6])(CCCH){2|C<4>,3|H<1>}	H(CC[6]CC)	107.7520	0.000	1	107.7520	0.000	1	107.7520	0.000	1	107.6480	0.015	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	2:3:4:	4:	C[6]-3:C-4:C-4:H-1:	N[6]-2:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(CH3)2(H)	C[6](N[6]C[6,6a])(N[6]C[6]Pd)(CCCH)	H(CC[6]CC)	C(C[6]N[6]2)(CH3)2(H)	C[6](N[6]C[6,6a])(N[6]C[6]Pd)(CCCH){3|C<3>}	H(CC[6]CC)	107.9617	1.237	3	107.9617	1.530	3	107.9617	1.530	3	107.9617	1.530	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH){1|C<2>,2|C<3>,2|C<4>}	H(CC[6]CC)	107.3835	0.155	2	107.3835	0.024	2	108.6997	3.555	7	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	112.1780	0.000	1	110.3505	6.680	2	108.6997	3.555	7	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,2|C<4>}	H(CC[6]CC)	108.5230	0.000	1	110.3505	6.680	2	108.6997	3.555	7	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]CC)	110.3690	0.000	1	110.3690	0.000	1	108.6997	3.555	7	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	H(CC[6]CC)	107.5305	0.436	2	107.5305	0.190	2	108.6997	3.555	7	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]N[5,6]O)(N[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]N[5,6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]CC)	108.1475	0.547	2	108.1475	0.299	2	107.3272	5.230	10	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]N[6]C)(N[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]N[6]C)(N[6]C[6])(CCCH){1|C<3>,1|N<3>}	H(CC[6]CC)	108.9250	0.912	4	108.9250	0.832	4	107.3272	5.230	10	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]N[6]C)(N[6]N[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]N[6]C)(N[6]N[6])(CCCH){1|Pd<4>,1|C<3>}	H(CC[6]CC)	105.3192	2.352	4	105.3192	5.531	4	107.3272	5.230	10	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]CC)	108.0570	0.000	1	108.0570	0.000	1	107.7767	0.183	6	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]CC)	108.5210	0.000	1	108.5210	0.000	1	107.7767	0.183	6	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C[6](C[6]C[6,6a]H)(O[6]Si[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C[6](C[6]C[6,6a]H)(O[6]Si[6])(CCCH){4|C<3>}	H(CC[6]CC)	107.5570	0.000	1	107.5570	0.000	1	107.7767	0.183	6	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CH3)2(H)	C[6](C[6]C[3,6]H)(O[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]O[6])(CH3)2(H)	C[6](C[6]C[3,6]H)(O[6]C[6])(CCCH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]CC)	107.6150	0.000	1	107.6150	0.000	1	107.7767	0.183	6	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CH3)2(H)	C[6](C[6]C[6,6a]P)(O[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]O[6])(CH3)2(H)	C[6](C[6]C[6,6a]P)(O[6]C[6])(CCCH){2|C<3>,2|H<1>}	H(CC[6]CC)	107.4600	0.000	1	107.4600	0.000	1	107.7767	0.183	6	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCCH){1|C<3>,1|N<3>,3|H<1>}	H(CC[6]CC)	107.4500	0.000	1	107.4500	0.000	1	107.7767	0.183	6	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:2:4:	4:	C[6]-3:C-4:P-4:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(PO3)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHP)	H(CC[6]CP)	C(C[6]C[6]2)(CCHH)(PO3)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHP){1|C<3>,2|H<1>}	H(CC[6]CP)	109.0140	0.000	1	109.0140	0.000	1	109.0140	0.000	1	107.9102	3.409	24	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[6]C[5,6]2)(CH3)2(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH)	H(CC[6]CC)	C(C[6]C[5,6]2)(CH3)2(H)	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>}	H(CC[6]CC)	107.1230	0.000	1	107.1230	0.000	1	107.1230	0.000	1	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(CH3)2(H)	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[5,6]C[6])(CH3)2(H)	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH){1|O<2>,5|C<4>}	H(CC[6]CC)	107.3170	0.000	1	107.3170	0.000	1	107.8210	0.307	3	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(CH3)2(H)	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[5,6]C[6])(CH3)2(H)	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>}	H(CC[6]CC)	108.4140	0.000	1	108.4140	0.000	1	107.8210	0.307	3	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(CH3)2(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[5,6]C[6])(CH3)2(H)	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>}	H(CC[6]CC)	107.7320	0.000	1	107.7320	0.000	1	107.8210	0.307	3	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C-4:	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH)	H(CC[6]CC)	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH){1|B<4>,2|H<1>,4|C<3>}	H(CC[6]CC)	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH){2|H<1>,5|C<4>}	H(CC[6]CC)	107.8420	0.000	1	107.8420	0.000	1	107.8465	0.000	2	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CH3)2(H)	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6,6]C[6])(CH3)2(H)	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>}	H(CC[6]CC)	107.8510	0.000	1	107.8510	0.000	1	107.8465	0.000	2	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	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>}	H(CC[6]CC)	107.2120	0.000	1	107.2120	0.000	1	107.2120	0.000	1	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6,6a]C[6])(CH3)2(H)	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>}	H(CC[6]CC)	106.4900	0.000	1	106.4900	0.000	1	107.2700	0.995	7	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6,6a]C[6])(CH3)2(H)	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>}	H(CC[6]CC)	107.7650	0.000	1	107.7650	0.000	1	107.2700	0.995	7	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6,6a]C[6])(CH3)2(H)	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>}	H(CC[6]CC)	107.3020	1.302	4	107.3020	1.696	4	107.2700	0.995	7	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|H<1>,4|C<3>}	H(CC[6]CC)	107.4270	0.000	1	107.4270	0.000	1	107.2700	0.995	7	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCCH)2(H)	C[6](C[6]C[6]H)2(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CCCH)2(H)	C[6](C[6]C[6]H)2(CCCH){1|N<3>,2|H<1>}	H(CC[6]CC)	108.0290	0.000	1	108.0290	0.000	1	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CCHH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	H(CC[6]CC)	106.7030	1.812	2	106.7030	3.282	2	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	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>}	H(CC[6]CC)	105.2970	0.000	1	105.2970	0.000	1	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	H(CC[6]CC)	107.5280	0.226	3	107.5280	0.051	3	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,2|O<2>}	H(CC[6]CC)	105.2680	0.000	1	105.2680	0.000	1	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	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>}	H(CC[6]CC)	107.1790	0.000	1	107.1790	0.000	1	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]CC)	107.1370	0.187	2	107.1370	0.035	2	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH){1|O<2>,2|C<3>}	H(CC[6]CC)	107.4980	0.000	1	107.4980	0.000	1	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]CC)	107.2140	0.000	1	107.2413	0.064	4	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]CC)	107.2503	0.310	3	107.2413	0.064	4	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]CC)	107.3000	0.327	3	107.2432	0.084	4	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	H(CC[6]CC)	107.0730	0.000	1	107.2432	0.084	4	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH){1|Br<1>,1|C<3>,1|O<1>}	H(CC[6]CC)	106.9580	0.000	1	106.9580	0.000	1	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,1|C<4>,1|H<1>}	H(CC[6]CC)	103.6060	0.000	1	106.3203	8.253	3	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,2|C<4>}	H(CC[6]CC)	109.3290	0.000	1	106.3203	8.253	3	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|Ni<4>,1|H<1>,2|C<4>}	H(CC[6]CC)	106.0260	0.000	1	106.3203	8.253	3	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]CC)	108.1335	0.896	2	107.8522	0.375	4	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,2|C<3>}	H(CC[6]CC)	107.5710	0.079	2	107.8522	0.375	4	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH){1|Ni<4>,1|C<3>,2|C<4>}	H(CC[6]CC)	106.6210	0.000	1	106.6210	0.000	1	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)2(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)2(CCCH){1|B<3>,2|H<1>}	H(CC[6]CC)	107.3620	0.085	2	107.3730	0.163	16	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)2(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)2(CCCH){1|Cu<5>,3|C<4>}	H(CC[6]CC)	106.9680	0.000	1	107.3730	0.163	16	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)2(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)2(CCCH){1|Pd<5>,3|C<4>}	H(CC[6]CC)	107.2110	0.000	1	107.3730	0.163	16	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)2(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]H)2(CCCH){3|C<4>}	H(CC[6]CC)	107.4221	0.448	12	107.3730	0.163	16	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	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>}	H(CC[6]CC)	104.9590	0.000	1	104.9590	0.000	1	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	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>}	H(CC[6]CC)	108.3190	0.000	1	108.3190	0.000	1	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]O)2(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]O)2(CCCH){1|O<1>,2|C<3>}	H(CC[6]CC)	106.6233	0.807	3	106.6233	0.651	3	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){1|Fe<9>,2|C<3>,2|C<4>}	H(CC[6]CC)	107.5930	0.000	1	107.2137	0.189	3	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	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>}	H(CC[6]CC)	106.7390	0.000	1	107.2137	0.189	3	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){2|C<3>,3|C<4>}	H(CC[6]CC)	107.3090	0.000	1	107.2137	0.189	3	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,3|C<3>}	H(CC[6]CC)	106.1620	0.082	2	106.1620	0.007	2	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH){1|C<3>,1|H<1>}	H(CC[6]CC)	106.1395	1.503	2	106.1395	2.258	2	107.0664	0.936	57	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]CC)	107.9205	0.274	2	107.9205	0.075	2	108.0138	0.038	8	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCCH){1|C<3>,2|H<1>}	H(CC[6]CC)	108.0060	0.000	1	108.0060	0.000	1	108.0138	0.038	8	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|Se<1>,1|N<3>,1|O<1>}	H(CC[6]CC)	108.0526	0.205	5	108.0526	0.042	5	108.0138	0.038	8	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6]CC)	106.6635	0.459	2	106.6635	0.211	2	107.4240	0.445	18	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6]CC)	107.9495	0.416	2	107.9495	0.173	2	107.4240	0.445	18	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6]CC)	107.6210	0.798	6	107.6210	0.637	6	107.4240	0.445	18	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6]CC)	107.4530	0.000	1	107.4530	0.000	1	107.4240	0.445	18	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH){1|O<1>,2|C<3>}	H(CC[6]CC)	106.1400	0.000	1	106.1400	0.000	1	107.4240	0.445	18	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6]CC)	107.8355	0.078	2	107.8355	0.006	2	107.4240	0.445	18	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6]CC)	107.3540	0.105	4	107.3540	0.011	4	107.4240	0.445	18	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]N[6]2)(CH3)2(H)	C[6](N[6]C[6]H)2(CCCH)	H(CC[6]CC)	C(C[6]N[6]2)(CH3)2(H)	C[6](N[6]C[6]H)2(CCCH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]CC)	108.4605	0.356	2	108.4605	0.127	2	108.4605	0.127	2	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:N-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	C[6](C[6]C[6]H)2(CCHN)	H(CC[6]CN)	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	C[6](C[6]C[6]H)2(CCHN){1|N<3>,2|H<1>}	H(CC[6]CN)	108.2590	0.703	2	108.2590	0.494	2	108.1867	0.263	3	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:N-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)(NH3)(H)	C[6](C[6]C[6]H)2(CCHN)	H(CC[6]CN)	C(C[6]C[6]2)(CH3)(NH3)(H)	C[6](C[6]C[6]H)2(CCHN){1|C<3>,3|H<1>}	H(CC[6]CN)	108.0420	0.000	1	108.0420	0.000	1	108.1867	0.263	3	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]HH)(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP)	H(CC[6]CP)	C(C[6]C[6]N[6])(CC[6a]HH)(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CP)	104.6700	0.000	1	104.6700	0.000	1	108.8030	34.163	2	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C-4:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]HO)(PMnCC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP)	H(CC[6]CP)	C(C[6]C[6]N[6])(CC[6a]HO)(PMnCC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CP)	112.9360	0.000	1	112.9360	0.000	1	108.8030	34.163	2	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]MnH)(CH3)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6]MnH)(CH3)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	108.8725	0.159	4	108.8725	0.025	4	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]NiH)(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]NiH)(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	106.0150	0.000	1	106.0150	0.000	1	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	106.6470	0.000	1	106.6470	0.000	1	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCH)(CH3)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NCuCH)(CH3)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CN)	108.9895	0.063	2	108.9895	0.004	2	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NFeCH)(CH3)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NFeCH)(CH3)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CN)	105.2900	0.018	2	105.2900	0.000	2	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NMnCH)(CH3)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NMnCH)(CH3)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CN)	106.6395	1.142	2	106.6395	1.304	2	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCH)(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NNiCH)(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CN)	106.5618	0.627	4	106.5618	0.394	4	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPdCH)(CH3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NPdCH)(CH3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	109.1970	0.054	4	109.1970	0.003	4	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPtHH)(CH3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NPtHH)(CH3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	105.7810	0.000	1	105.7810	0.000	1	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuHH)(CC3)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NRuHH)(CC3)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6]CN)	105.4540	0.000	1	105.4540	0.000	1	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NRuHH)(CCCH)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NRuHH)(CCCH)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	106.0960	0.000	1	106.0960	0.000	1	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCC)(CH3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NZnCC)(CH3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CN)	107.8455	1.513	4	107.8455	2.288	4	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CN)	108.6820	0.000	1	108.9007	0.051	3	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	H(CC[6]CN)	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6]CN)	109.0100	0.174	2	108.9007	0.051	3	107.6147	2.270	30	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	H(CC[6]NP)	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|C<3>,2|H<1>}	H(CC[6]NP)	107.9510	0.000	1	108.5250	0.389	3	108.5342	0.562	6	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	H(CC[6]NP)	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6]NP)	108.8120	0.533	2	108.5250	0.389	3	108.5342	0.562	6	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	H(CC[6]NP)	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|C<3>,2|H<1>}	H(CC[6]NP)	108.7515	1.331	2	108.5433	1.016	3	108.5342	0.562	6	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:N-4:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	H(CC[6]NP)	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6]NP)	108.1270	0.000	1	108.5433	1.016	3	108.5342	0.562	6	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:O-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(ONi3)(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHO)	H(CC[6]CO)	C(C[6]C[6]N[6])(ONi3)(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6]CO)	108.0595	0.009	2	108.0595	0.000	2	108.0595	0.000	2	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:P-4:B-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Pd)(BC[6a]3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CBHP)	H(CC[6]BP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(BC[6a]3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CBHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]BP)	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:P-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP)	H(CC[6]CP)	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]CP)	107.4620	0.000	1	107.4620	0.000	1	107.4620	0.000	1	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:P-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHP)	H(CC[6]CP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHP){1|C<3>,2|H<1>}	H(CC[6]CP)	108.2325	2.555	2	108.2325	6.527	2	108.8530	4.419	3	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:P-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Rh)(CC[6a]HP)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHP)	H(CC[6]CP)	C(C[6]C[6]N[6])(PC[6a]2Rh)(CC[6a]HP)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHP){1|C<3>,2|H<1>}	H(CC[6]CP)	110.0940	0.000	1	110.0940	0.000	1	108.8530	4.419	3	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:P-4:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Ir)2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHPP)	H(CC[6]PP)	C(C[6]C[6]N[6])(PC[6a]2Ir)2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHPP){1|C<3>,2|H<1>}	H(CC[6]PP)	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:Si-4:Si-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(SiC3)2(H)	C[6](C[6]C[6]H)2(CSi2H)	H(CC[6]Si2)	C(C[6]C[6]2)(SiC3)2(H)	C[6](C[6]C[6]H)2(CSi2H){1|N<3>,2|H<1>}	H(CC[6]Si2)	104.5090	0.000	1	104.5090	0.000	1	104.5090	0.000	1	107.5048	1.590	150	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C-4:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(CH3)2(H)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(CCCH)	H(CC[6]CC)	C(C[6]C[5,6]C[6])(CH3)2(H)	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>}	H(CC[6]CC)	107.2030	0.000	1	107.2030	0.000	1	107.7870	0.273	3	107.2533	0.746	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C-4:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(CH3)2(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CCCH)	H(CC[6]CC)	C(C[6]C[5,6]C[6])(CH3)2(H)	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>}	H(CC[6]CC)	108.0790	0.187	2	108.0790	0.035	2	107.7870	0.273	3	107.2533	0.746	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CCHH)(CH3)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CCHH)(CH3)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]CC)	107.8940	0.000	1	107.8940	0.000	1	107.0754	0.816	9	107.2533	0.746	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]CC)	106.3000	1.238	3	106.3000	1.532	3	107.0754	0.816	9	107.2533	0.746	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]CC)	107.1030	0.484	2	107.1030	0.234	2	107.0754	0.816	9	107.2533	0.746	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	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>}	H(CC[6]CC)	107.5250	0.201	2	107.5597	0.024	3	107.0754	0.816	9	107.2533	0.746	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]CC)	107.6290	0.000	1	107.5597	0.024	3	107.0754	0.816	9	107.2533	0.746	12	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(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>}	H(CC[6]CC)	106.6620	0.000	1	106.6620	0.000	1	106.6620	0.000	1	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(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>}	H(CC[6]CC)	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,4|H<1>}	H(CC[6]CC)	107.7170	0.000	1	107.7170	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCHO)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CCHO)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,3|H<1>}	H(CC[6]CC)	106.8580	0.000	1	106.8580	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]CC)	107.1860	0.000	1	107.1860	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]CC)	106.0487	0.705	3	106.0487	0.497	3	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]2Fe)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]2Fe)(C[6]C[6]H)(CCCH){1|C<3>,3|C<4>}	H(CC[6]CC)	107.7910	0.000	1	107.7910	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>}	H(CC[6]CC)	108.2590	0.000	1	108.2590	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CaN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CaN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.4262	0.368	6	107.4262	0.135	6	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CoN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CoN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.8350	0.000	1	107.8350	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	106.9592	1.556	6	106.9592	2.422	6	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]ErN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]ErN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.5485	0.304	4	107.5485	0.093	4	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<3>,3|H<1>}	H(CC[6]CC)	106.8270	0.496	2	106.9363	0.159	3	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]CC)	107.1550	0.000	1	106.9363	0.159	3	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CCCH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]CC)	107.3045	0.067	2	107.3045	0.005	2	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	108.0750	0.409	4	108.0750	0.167	4	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.2255	0.101	2	107.2255	0.010	2	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.0455	0.213	2	107.0455	0.045	2	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.7041	0.525	18	107.7041	0.276	18	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N[5]Li)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N[5]Li)(C[6]C[6]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	H(CC[6]CC)	107.8310	0.000	1	107.8310	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N[5]Pd)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N[5]Pd)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]CC)	107.9880	0.000	1	107.9880	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.2903	0.241	3	107.2903	0.058	3	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.6054	0.139	5	107.6054	0.019	5	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]NiH)(C[6]C[6]N)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]NiH)(C[6]C[6]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	108.2320	0.000	1	108.2320	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]NiN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]NiN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.8065	0.156	2	107.8065	0.024	2	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]SmN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]SmN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.2728	0.421	4	107.2728	0.177	4	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]SrN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]SrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.5521	0.611	8	107.5521	0.374	8	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.7927	0.259	3	107.7927	0.067	3	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]YbH)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]YbH)(C[6]C[6]H)(CCCH){3|C<4>}	H(CC[6]CC)	107.3900	0.000	1	107.3900	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.5760	0.738	4	107.5760	0.544	4	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	107.9088	0.447	6	107.9088	0.200	6	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]CC)	106.9615	0.592	2	107.4415	0.430	4	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH){2|C<4>,3|C<3>}	H(CC[6]CC)	107.9215	0.129	2	107.4415	0.430	4	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]CC)	107.6295	0.361	2	107.6295	0.131	2	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	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>}	H(CC[6]CC)	106.9240	0.000	1	106.9240	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]CC)	107.6900	0.000	1	107.3975	0.171	2	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>,3|C<4>}	H(CC[6]CC)	107.1050	0.000	1	107.3975	0.171	2	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH){2|C<3>,4|C<4>}	H(CC[6]CC)	108.8500	0.000	1	107.8762	0.128	25	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH){2|C<4>,3|C<3>}	H(CC[6]CC)	107.8356	0.300	24	107.8762	0.128	25	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CCCH){2|C<4>,5|C<3>}	H(CC[6]CC)	105.1600	0.000	1	105.1600	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Pt)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Pt)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]CC)	107.7370	0.156	2	107.7370	0.024	2	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:4:4:1:	4:3:4:	4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Yb)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6a]C[6]Yb)(C[6]C[6]H)(CCCH){2|C<3>,3|C<4>}	H(CC[6]CC)	107.6630	0.000	1	107.6630	0.000	1	107.5547	0.420	133	107.5618	0.446	135	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:5:1:1:	3:3:4:	4:	C[6]-3:Si-5:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(SiRu2CC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiRu2CC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]SiH)	109.6920	0.023	2	109.6920	0.001	2	109.6920	0.001	2	109.6920	0.001	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:5:1:1:	4:3:4:	4:	C[6]-3:P-5:H-1:H-1:	N[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]NdCO)(H)2	C[6](N[6]C[6]NdO)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]NdCO)(H)2	C[6](N[6]C[6]NdO)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]HP)	109.6135	0.071	4	109.6135	0.005	4	109.6135	0.005	4	109.6135	0.005	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:5:3:1:	4:3:4:	4:	C[6]-3:P-5:C-3:H-1:	N[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2DyO)(CNO)(H)	C[6](N[6]C[6]DyO)(C[6]C[6]H)(CCHP)	H(CC[6]CP)	C(C[6]C[6]N[6])(PC[6a]2DyO)(CNO)(H)	C[6](N[6]C[6]DyO)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CP)	108.0995	0.920	2	108.0995	0.846	2	108.0995	0.846	2	108.0995	0.846	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	3:5:4:1:	4:3:4:	4:	C[6]-3:C-5:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(CCrH3)(CH3)(H)	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH)	H(CC[6]CC)	C(C[6]C[6]2)(CCrH3)(CH3)(H)	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]CC)	106.6720	0.000	1	106.6720	0.000	1	106.6720	0.000	1	106.6720	0.000	1	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:2:4:	4:	B[5]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-2:C-4:	C-4:	C(B[5]C[5,6a]C[5,6]N[6])(C[6]C[6]N[6])(H)2	C[6](N[6]B[5]C[6])(C[6]C[6])(CB[5]HH)	H(CB[5]C[6]H)	C(B[5]C[5,6a]C[5,6]N[6])(C[6]C[6]N[6])(H)2	C[6](N[6]B[5]C[6])(C[6]C[6])(CB[5]HH){1|C<2>,1|C<4>,2|C<3>}	H(CB[5]C[6]H)	108.3835	0.006	2	108.3835	0.000	2	108.3835	0.000	2	109.1988	0.554	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:2:4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]HH)	H(CC[5]C[6]H)	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]HH){1|O<1>,1|O<2>,2|C<4>}	H(CC[5]C[6]H)	109.1665	0.053	2	109.1665	0.003	2	109.1665	0.003	2	109.1988	0.554	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:2:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]2H)	110.0465	0.006	2	110.0465	0.000	2	110.0465	0.000	2	109.1988	0.554	6	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	B[5]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(B[5]C[5,6a]2N[6])(C[6]C[6]N[6])(H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(CB[5]HH)	H(CB[5]C[6]H)	C(B[5]C[5,6a]2N[6])(C[6]C[6]N[6])(H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(CB[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(CB[5]C[6]H)	108.2330	0.028	2	108.2330	0.001	2	108.2330	0.001	2	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[3]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[3]C[3,5]O[3]H)(C[6]C[6]2)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH)	H(CC[3]C[6]H)	C(C[3]C[3,5]O[3]H)(C[6]C[6]2)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH){1|C<3>,2|C<4>,5|H<1>}	H(CC[3]C[6]H)	107.6830	0.005	4	107.6830	0.000	4	107.9358	0.153	6	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[3]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[3]C[3]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[3]HH)	H(CC[3]C[6]H)	C(C[3]C[3]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[3]HH){1|C<4>,4|H<1>}	H(CC[3]C[6]H)	108.4415	0.009	2	108.4415	0.000	2	107.9358	0.153	6	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[5]HH)	H(CC[5]C[6]H)	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[5]HH){1|N<3>,2|H<1>}	H(CC[5]C[6]H)	108.0755	0.019	2	108.0755	0.000	2	108.2959	1.542	10	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5]HH)	H(CC[5]C[6]H)	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5]HH){1|Re<6>,1|C<3>,1|H<1>}	H(CC[5]C[6]H)	108.9550	0.095	2	108.9550	0.009	2	108.2959	1.542	10	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[5]HH)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,1|H<1>}	H(CC[5]C[6]H)	107.5020	3.155	2	108.2998	4.168	4	108.2959	1.542	10	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[5]HH)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[5]HH){1|H<1>,1|N<3>,1|P<4>}	H(CC[5]C[6]H)	109.0975	0.047	2	108.2998	4.168	4	108.2959	1.542	10	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[5]HH)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[5]HH){2|C<3>,2|C<4>}	H(CC[5]C[6]H)	107.8495	0.018	2	107.8495	0.000	2	108.2959	1.542	10	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]2H)	107.5240	0.343	6	107.5240	0.118	6	107.9021	1.716	15	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,1|O<2>,2|C<3>}	H(CC[6]2H)	108.0967	0.495	6	108.0967	0.245	6	107.9021	1.716	15	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	H(CC[6]2H)	108.1095	4.535	2	108.1095	20.563	2	107.9021	1.716	15	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	108.5880	0.000	1	108.5880	0.000	1	107.9021	1.716	15	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5]C[6]2)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[5]C[6]2)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	107.9295	0.046	2	107.9295	0.002	2	108.2948	0.179	4	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6]H)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]2H)	108.6600	0.011	2	108.6600	0.000	2	108.2948	0.179	4	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[6]HH)	H(CC[6]N[6]H)	C(N[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[6]HH){1|N<2>,2|C<3>}	H(CC[6]N[6]H)	108.9911	0.161	8	108.9911	0.026	8	108.9911	0.026	8	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(P[5]C[5,6a]C[5]Ir)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CP[5]HH)	H(CC[6]P[5]H)	C(P[5]C[5,6a]C[5]Ir)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CP[5]HH){1|H<1>,2|C<3>}	H(CC[6]P[5]H)	109.0225	0.097	6	109.0225	0.009	6	109.0225	0.009	6	108.3297	0.990	51	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:4:3:	4:	B[6,6]-4:C[6]-3:H-1:H-1:	N[6]-3:C-4:C[6]-3:	C-4:	C(B[6,6]C[6,6]2N[6])(C[6]C[6]N[6])(H)2	C[6](N[6]B[6,6]C[6])(CB[6,6]HH)(C[6]C[6]H)	H(CB[6,6]C[6]H)	C(B[6,6]C[6,6]2N[6])(C[6]C[6]N[6])(H)2	C[6](N[6]B[6,6]C[6])(CB[6,6]HH)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	H(CB[6,6]C[6]H)	109.5350	0.120	4	109.5350	0.014	4	109.1074	0.411	8	108.2365	8.153	11	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:4:3:	4:	B[6,6]-4:C[6]-3:H-1:H-1:	N[6]-3:C-4:C[6]-3:	C-4:	C(B[6,6]C[6,6]2O)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Li)(CB[6,6]HH)(C[6]C[6]H)	H(CB[6,6]C[6]H)	C(B[6,6]C[6,6]2O)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Li)(CB[6,6]HH)(C[6]C[6]H){1|C<3>,2|H<1>}	H(CB[6,6]C[6]H)	108.0950	0.020	2	108.0950	0.000	2	109.1074	0.411	8	108.2365	8.153	11	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:4:3:	4:	B[6,6]-4:C[6]-3:H-1:H-1:	N[6]-3:C-4:C[6]-3:	C-4:	C(B[6,6]C[6,6]2Ru)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(CB[6,6]HH)(C[6]C[6]H)	H(CB[6,6]C[6]H)	C(B[6,6]C[6,6]2Ru)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(CB[6,6]HH)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	H(CB[6,6]C[6]H)	109.2645	0.006	2	109.2645	0.000	2	109.1074	0.411	8	108.2365	8.153	11	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:C[6]-3:	C-4:	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O)	H(CC[6,6]C[6]H)	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(CC[6,6]C[6]H)	108.9805	0.023	2	108.9805	0.001	2	108.9805	0.001	2	108.2365	8.153	11	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:H-1:O-1:	C[6,6a]-3:C-4:C[6]-3:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	H(CC[6,6]C[6]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	H(CC[6,6]C[6]O)	99.7817	0.000	1	99.7817	0.000	1	99.7817	0.000	1	108.2365	8.153	11	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6,6a]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CC[6]HH){2|C<4>,3|H<1>}	H(CC[6]2H)	108.2065	0.070	2	108.2065	0.005	2	108.2065	0.005	2	108.2065	0.005	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:3:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(C[6]C[6]2)(H)2	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O)	H(CC[3,6]C[6]H)	C(C[3,6]C[3,6]C[6]O[3])(C[6]C[6]2)(H)2	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<4>}	H(CC[3,6]C[6]H)	109.0610	0.027	2	109.0610	0.001	2	109.0610	0.001	2	108.6497	0.409	7	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O)	H(CC[5,6]C[6]H)	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>}	H(CC[5,6]C[6]H)	108.4852	0.703	5	108.4852	0.494	5	108.4852	0.494	5	108.6497	0.409	7	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	B-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(BC[6a]2N[6])(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH)	H(CC[6]BH)	C(BC[6a]2N[6])(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH){1|C<4>,4|H<1>}	H(CC[6]BH)	108.0225	0.198	4	108.0225	0.039	4	108.0225	0.039	4	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]HH)	H(CC[5]C[6]H)	C(C[5]C[5,6a]C[5]C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]HH){1|N<3>,4|H<1>}	H(CC[5]C[6]H)	108.2470	0.069	2	108.2470	0.005	2	106.3065	5.157	4	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH)	H(CC[5]C[6]H)	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH){1|C<4>,2|C<2>,2|H<1>}	H(CC[5]C[6]H)	104.3660	0.636	2	104.3660	0.405	2	106.3065	5.157	4	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH){3|C<4>,3|H<1>}	H(CC[6]2H)	109.7005	0.005	2	109.7005	0.000	2	109.7005	0.000	2	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH){1|O<2>,2|H<1>,3|C<4>}	H(CC[6]2H)	109.3160	0.007	2	109.3160	0.000	2	109.3160	0.000	2	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]2H)	107.7260	0.000	1	107.7260	0.000	1	108.0033	0.279	35	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2Dy)(C[6]C[6]2)(H)2	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2Dy)(C[6]C[6]2)(H)2	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	H(CC[6]2H)	107.5428	0.096	6	107.5428	0.009	6	108.0033	0.279	35	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2Er)(C[6]C[6]2)(H)2	C[6](C[6]C[6]ErO)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2Er)(C[6]C[6]2)(H)2	C[6](C[6]C[6]ErO)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	H(CC[6]2H)	107.6190	0.068	6	107.6190	0.005	6	108.0033	0.279	35	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2Gd)(C[6]C[6]2)(H)2	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2Gd)(C[6]C[6]2)(H)2	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	H(CC[6]2H)	107.5386	0.094	5	107.5386	0.009	5	108.0033	0.279	35	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH){2|H<1>,3|C<4>}	H(CC[6]2H)	108.0010	0.021	2	108.0010	0.000	2	108.0033	0.279	35	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH){2|H<1>,3|C<4>}	H(CC[6]2H)	108.3906	0.177	7	108.3906	0.031	7	108.0033	0.279	35	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]2H)	108.3300	0.016	2	108.3300	0.000	2	108.0033	0.279	35	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]2H)	108.9690	0.025	2	108.7215	0.305	6	108.0033	0.279	35	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	H(CC[6]2H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){2|C<3>,3|H<1>}	H(CC[6]2H)	108.5978	0.669	4	108.7215	0.305	6	108.0033	0.279	35	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	P-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(PC[6a]2Zr)(C[6]C[6]2)(H)2	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(PC[6a]2Zr)(C[6]C[6]2)(H)2	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.7370	0.000	1	109.7370	0.000	1	109.6035	0.258	20	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	P-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(PC[6a]HfC)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(PC[6a]HfC)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.5775	0.522	15	109.5775	0.273	15	109.6035	0.258	20	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:3:4:	4:	P-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(PC[6a]ZrC)(C[6]C[6]2)(H)2	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP)	H(CC[6]HP)	C(PC[6a]ZrC)(C[6]C[6]2)(H)2	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6]HP)	109.6675	0.586	4	109.6675	0.344	4	109.6035	0.258	20	108.4707	1.322	67	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C-4:C[6]-3:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[3,6]C[6])(H)2	C[6](C[3,6]C[3]C[6]O[3])(CC[5,6]HH)(C[6]C[6]H)	H(CC[5,6]C[6]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[3,6]C[6])(H)2	C[6](C[3,6]C[3]C[6]O[3])(CC[5,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5,6]C[6]H)	107.7730	0.007	2	107.7730	0.000	2	107.7730	0.000	2	107.9718	0.054	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C[6]-3:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(CC[5,6]HH)(C[6]C[6]H)	H(CC[5,6]C[6]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(CC[5,6]HH)(C[6]C[6]H){1|C<4>,1|S<4>,2|H<1>}	H(CC[5,6]C[6]H)	108.1705	0.067	2	108.1705	0.005	2	108.1705	0.005	2	107.9718	0.054	4	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:2:1:	2:2:4:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-2:C[6]-2:C-4:	C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(SC)(H)	C[6](C[6]C[6])2(CC[6]HS)	H(CC[6]2S)	C(C[6]C[6]2H)(C[6]C[6]2)(SC)(H)	C[6](C[6]C[6])2(CC[6]HS){1|C<2>}	H(CC[6]2S)	106.7070	0.000	1	106.7070	0.000	1	106.7070	0.000	1	106.7070	0.000	1	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:2:1:	3:2:4:	4:	C[5]-4:C[6]-3:O-2:H-1:	C[6]-3:S[6]-2:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO)	H(CC[5]C[6]O)	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO){1|C<4>,2|H<1>}	H(CC[5]C[6]O)	109.3310	0.000	1	109.3310	0.000	1	109.3310	0.000	1	109.3310	0.000	1	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO)	H(CC[6]2O)	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO){1|H<1>,4|C<4>}	H(CC[6]2O)	110.0535	0.052	2	110.0535	0.003	2	108.1917	10.401	3	108.1917	10.401	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]H)2(CC[6]HO)	H(CC[6]2O)	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]H)2(CC[6]HO){1|C<3>,1|H<1>}	H(CC[6]2O)	104.4680	0.000	1	104.4680	0.000	1	108.1917	10.401	3	108.1917	10.401	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:2:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C-4:C[6]-3:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	H(CC[6,6]C[6]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	H(CC[6,6]C[6]O)	108.8970	0.000	1	109.3134	0.874	14	109.3068	0.812	15	109.3068	0.812	15	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:2:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C-4:C[6]-3:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	H(CC[6,6]C[6]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	H(CC[6,6]C[6]O)	109.3454	0.965	13	109.3134	0.874	14	109.3068	0.812	15	109.3068	0.812	15	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:2:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C-4:C[6]-3:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	H(CC[6,6]C[6]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6,6]C[6]O)	109.2150	0.000	1	109.2150	0.000	1	109.3068	0.812	15	109.3068	0.812	15	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HO)	H(CC[6]2O)	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HO){1|C<4>,4|H<1>}	H(CC[6]2O)	107.7480	0.044	2	107.7480	0.002	2	107.7480	0.002	2	107.7480	0.002	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:3:1:	3:2:4:	4:	C[5]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(C[5]C[5]2O)(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH)	H(CC[5]C[6]C)	C(C[5]C[5]2O)(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH){1|C<3>,2|H<1>}	H(CC[5]C[6]C)	106.4040	0.000	1	106.4040	0.000	1	106.4040	0.000	1	106.4040	0.000	1	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:3:1:	4:3:4:	4:	C[3]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[3]C[3]2O)(C[6]C[6]2)(COO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH)	H(CC[3]C[6]C)	C(C[3]C[3]2O)(C[6]C[6]2)(COO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[3]C[6]C)	106.7820	0.000	1	106.7820	0.000	1	106.7820	0.000	1	107.3520	0.650	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN)	H(CC[6]2N)	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN){1|C<4>,4|H<1>}	H(CC[6]2N)	107.9220	0.000	1	107.9220	0.000	1	107.9220	0.000	1	107.3520	0.650	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:4:1:	3:2:4:	4:	C[5]-4:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]CH)	H(CC[5]C[6]C)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]CH){1|C<4>,4|H<1>}	H(CC[5]C[6]C)	107.5730	0.000	1	107.5730	0.000	1	107.5730	0.000	1	107.5730	0.000	1	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	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)	H(CC[5]C[6]C)	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>}	H(CC[5]C[6]C)	107.9230	0.000	1	107.9230	0.000	1	107.9230	0.000	1	107.3686	4.620	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2Co)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)2(CC[6]CH)	H(CC[6]2C)	C(C[6]C[6]2Co)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)2(CC[6]CH){1|C<2>,2|H<1>}	H(CC[6]2C)	104.0020	0.000	1	104.0020	0.000	1	104.0020	0.000	1	107.3686	4.620	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:4:1:	3:3:4:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH)	H(CC[6]N[6]C)	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6]N[6]C)	107.1188	0.285	4	107.1188	0.081	4	107.1188	0.081	4	107.3686	4.620	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:4:1:	3:3:4:	4:	P-4:C[6]-3:C-4:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(PC[6a]2Ni)(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]Ni)(N[6]C[6]C)(CCHP)	H(CC[6]CP)	C(PC[6a]2Ni)(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]Ni)(N[6]C[6]C)(CCHP){1|C<4>,4|H<1>}	H(CC[6]CP)	110.3800	0.000	2	110.3800	0.000	2	108.3215	8.604	4	107.3686	4.620	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:4:1:	3:3:4:	4:	P-4:C[6]-3:C-4:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP)	H(CC[6]CP)	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP){1|C<4>,4|H<1>}	H(CC[6]CP)	104.1580	0.000	1	104.1580	0.000	1	108.3215	8.604	4	107.3686	4.620	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:4:1:	3:3:4:	4:	P-4:C[6]-3:C-4:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]Re)(N[6]C[6]C)(CCHP)	H(CC[6]CP)	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]Re)(N[6]C[6]C)(CCHP){1|C<4>,4|H<1>}	H(CC[6]CP)	108.3680	0.000	1	108.3680	0.000	1	108.3215	8.604	4	107.3686	4.620	10	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:4:1:	4:2:4:	4:	C[5]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CC[5]CH)	H(CC[5]C[6]C)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CC[5]CH){1|C<4>,4|H<1>}	H(CC[5]C[6]C)	107.1790	0.000	1	107.1790	0.000	1	107.1790	0.000	1	107.1790	0.000	1	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	4:3:4:1:	4:3:4:	4:	C[5]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CH)	H(CC[5]C[6]C)	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CH){1|C<4>,1|O<1>,2|H<1>}	H(CC[5]C[6]C)	105.8220	0.413	2	105.8220	0.171	2	105.8220	0.171	2	105.8220	0.171	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	5:3:1:1:	3:3:4:	4:	B[5]-5:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(B[5]O[5]2RuH)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CB[5]HH)	H(CB[5]C[6]H)	C(B[5]O[5]2RuH)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CB[5]HH){1|C<3>,1|H<1>,1|N<2>}	H(CB[5]C[6]H)	109.0090	0.017	2	109.0090	0.000	2	109.0090	0.000	2	109.0090	0.000	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	5:3:2:1:	4:3:3:	4:	C[3x3,4,3x5,14x6]-5:C[6]-3:O-2:H-1:	C-4:N[6]-3:C[6]-3:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(OH)(H)	C[6](CC[3x3,4,3x5,14x6]HO)(N[6]C[6]Pd)(C[6]C[6]H)	H(CC[3x3,4,3x5,14x6]C[6]O)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(OH)(H)	C[6](CC[3x3,4,3x5,14x6]HO)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	H(CC[3x3,4,3x5,14x6]C[6]O)	108.5885	0.088	2	108.5885	0.008	2	108.5885	0.008	2	108.5885	0.008	2	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	5:3:4:1:	4:3:3:	4:	C[3x3,4,3x5,14x6]-5:C[6]-3:N-4:H-1:	C-4:N[6]-3:C[6]-3:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(NPdCH)(H)	C[6](CC[3x3,4,3x5,14x6]HN)(N[6]C[6]Pd)(C[6]C[6]H)	H(CC[3x3,4,3x5,14x6]C[6]N)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(NPdCH)(H)	C[6](CC[3x3,4,3x5,14x6]HN)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	H(CC[3x3,4,3x5,14x6]C[6]N)	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	6:3:1:1:	4:3:3:	4:	C[5x3,3x5,11x6]-6:C[6]-3:H-1:H-1:	C-4:C[6]-3:N[6]-3:	C-4:	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6]C[6]N[6])(H)2	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]C)	H(CC[5x3,3x5,11x6]C[6]H)	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6]C[6]N[6])(H)2	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	H(CC[5x3,3x5,11x6]C[6]H)	105.9195	6.621	2	105.9195	43.833	2	107.2632	17.019	4	108.5546	14.866	8	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	6:3:1:1:	4:3:3:	4:	C[5x3,3x5,11x6]-6:C[6]-3:H-1:H-1:	C-4:C[6]-3:N[6]-3:	C-4:	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6]C[6]N[6])(H)2	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]H)	H(CC[5x3,3x5,11x6]C[6]H)	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6]C[6]N[6])(H)2	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	H(CC[5x3,3x5,11x6]C[6]H)	108.6070	0.041	2	108.6070	0.002	2	107.2632	17.019	4	108.5546	14.866	8	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	6:3:1:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(H)2	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)2	H(CC[5x3,5x5,20x6]C[6]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(H)2	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)2{1|C<2>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6]H)	110.9010	5.934	2	110.9010	35.213	2	110.9010	35.213	2	108.5546	14.866	8	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	6:3:1:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6]-3:H-1:H-1:	C-4:C[6]-3:N[6]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]N[6])(H)2	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)(N[6]C[6]C)	H(CC[5x3,5x5,20x6]C[6]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]N[6])(H)2	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6]H)	108.7910	0.008	2	108.7910	0.000	2	108.7910	0.000	2	108.5546	14.866	8	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	6:3:2:1:	4:3:3:	4:	C[3x3,3x5,12x6]-6:C[6]-3:O-2:H-1:	C-4:N[6]-3:C[6]-3:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[6]C[6]N[6])(OH)(H)	C[6](CC[3x3,3x5,12x6]HO)(N[6]C[6]Co)(C[6]C[6]H)	H(CC[3x3,3x5,12x6]C[6]O)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[6]C[6]N[6])(OH)(H)	C[6](CC[3x3,3x5,12x6]HO)(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,2|H<1>}	H(CC[3x3,3x5,12x6]C[6]O)	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	108.5737	0.024	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	6:3:2:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6]-3:O-2:H-1:	C-4:C[6]-3:C[6]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(OH)(H)	C[6](CC[5x3,5x5,20x6]HO)(C[6]C[6]H)(C[6]N[6]H)	H(CC[5x3,5x5,20x6]C[6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(OH)(H)	C[6](CC[5x3,5x5,20x6]HO)(C[6]C[6]H)(C[6]N[6]H){1|Co<4>,1|C<3>,1|H<1>}	H(CC[5x3,5x5,20x6]C[6]O)	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	108.5737	0.024	3	109.3670	1.610	32735	109.3646	1.617	32960
490	762	951	0:SP3_SP-NON_SP2	C	C[6]	H	6:3:2:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6]-3:O-2:H-1:	C-4:N[6]-3:C[6]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]N[6])(OCo)(H)	C[6](CC[5x3,5x5,20x6]HO)(N[6]C[6]Co)(C[6]C[6]H)	H(CC[5x3,5x5,20x6]C[6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]N[6])(OCo)(H)	C[6](CC[5x3,5x5,20x6]HO)(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6]O)	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	108.5737	0.024	3	109.3670	1.610	32735	109.3646	1.617	32960