490	813	952	0:SP3_SP2_SP3	C	N[5a]	S	3:3:3:4:	3:2:4:	4:1:1:1:	N[5a]-3:N[5a]-3:N[5a]-3:S-4:	C[5a]-3:N[5a]-2:C-4:	C-4:O-1:O-1:O-1:	C(N[5a]C[5a]N[5a])3(SO3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S)	S(CN[5a]3)(O)3	C(N[5a]C[5a]N[5a])3(SO3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S){1|C<3>,1|H<1>}	S(CN[5a]3)(O)3	108.6963	1.603	3	108.6963	2.570	3	108.6963	2.570	3	108.6963	2.570	3	109.1368	1.663	5	109.1368	1.663	5
490	813	952	0:SP3_SP2_SP3	C	N[5a]	S	3:3:3:4:	3:2:4:	4:2:1:1:	N[5a]-3:N[5]-3:N[5]-3:S-4:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:O-1:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S)	S(CN[5a]N[5]2)(OFe)(O)2	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S){1|C<4>,1|H<1>}	S(CN[5a]N[5]2)(OFe)(O)2	109.9660	0.000	1	109.9660	0.000	1	109.7975	0.057	2	109.7975	0.057	2	109.1368	1.663	5	109.1368	1.663	5
490	813	952	0:SP3_SP2_SP3	C	N[5a]	S	3:3:3:4:	3:2:4:	4:2:1:1:	N[5a]-3:N[5]-3:N[5]-3:S-4:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:O-1:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S)	S(CN[5a]N[5]2)(OMn)(O)2	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S){1|C<4>,1|H<1>}	S(CN[5a]N[5]2)(OMn)(O)2	109.6290	0.000	1	109.6290	0.000	1	109.7975	0.057	2	109.7975	0.057	2	109.1368	1.663	5	109.1368	1.663	5
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	2:2:4:	4:1:1:	N[5a]-3:N-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]N[5a]2)(NOO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHN)	N(CN[5a]HH)(O)2	C(N[5a]N[5a]2)(NOO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHN){1|N<3>}	N(CN[5a]HH)(O)2	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	2:2:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:C-4:C-3:	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](N[5a]C[5a])2(CHHN)	N(CN[5a]HH)(CH3)(CHO)	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](N[5a]C[5a])2(CHHN){1|Br<1>,1|C<3>}	N(CN[5a]HH)(CH3)(CHO)	112.8580	0.000	1	112.8580	0.000	1	112.8580	0.000	1	112.8580	0.000	1	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:	C(N[5a]C[5a,6a]N[5a])(NC[5a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	N(C[5a]C[5a]N[5a])(CN[5a]HH)(H)	C(N[5a]C[5a,6a]N[5a])(NC[5a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	N(C[5a]C[5a]N[5a])(CN[5a]HH)(H)	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	113.4840	1.167	6	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:H-1:	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CN[5a]HH)(H)	113.4960	0.000	1	113.4960	0.000	1	113.4960	0.000	1	113.4840	1.167	6	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:H-1:	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N(C[6a]C[6a]N[6a])(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CN[5a]HH)(H)	113.4770	0.000	1	113.4770	0.000	1	113.0603	1.907	3	113.4840	1.167	6	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:H-1:	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|H<1>}	N(C[6a]C[6a]2)(CN[5a]HH)(H)	112.8520	1.885	2	112.8520	3.554	2	113.0603	1.907	3	113.4840	1.167	6	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[6a]-3:C-4:H-1:	C(N[5a]C[5a]S[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C(N[5a]C[5a]S[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN){2|C<3>}	N(C[6a]C[6a]2)(CN[5a]HH)(H)	114.7010	0.000	1	114.7010	0.000	1	114.7010	0.000	1	113.4840	1.167	6	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	4:1:1:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a]N[5a])(NOO)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	N(CN[5a]HH)(O)2	C(N[5a]C[5a]N[5a])(NOO)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){2|N<3>}	N(CN[5a]HH)(O)2	110.6225	0.428	2	110.6225	0.183	2	110.3687	0.285	3	110.3687	0.285	3	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	4:1:1:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a]N[5a])(NOO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN)	N(CN[5a]HH)(O)2	C(N[5a]C[5a]N[5a])(NOO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN){1|N<3>}	N(CN[5a]HH)(O)2	109.8610	0.000	1	109.8610	0.000	1	110.3687	0.285	3	110.3687	0.285	3	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:C-3:	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	N(CN[5a]HH)(CH3)(CHO)	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){1|Br<1>,2|C<3>}	N(CN[5a]HH)(CH3)(CHO)	111.8310	0.000	1	111.8310	0.000	1	111.8310	0.000	1	111.8897	0.366	7	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN){2|N<3>}	N(CN[5a]HH)(CH3)(NOO)	111.6810	0.000	1	111.6810	0.000	1	111.8995	0.438	6	111.8897	0.366	7	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|N<3>}	N(CN[5a]HH)(CH3)(NOO)	112.1890	0.000	1	112.1890	0.000	1	111.8995	0.438	6	111.8897	0.366	7	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	N(CN[5a]HH)(CH3)(NOO)	111.5825	0.260	2	111.5825	0.067	2	111.8995	0.438	6	111.8897	0.366	7	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|N<2>,2|N<3>}	N(CN[5a]HH)(CH3)(NOO)	111.2780	0.000	1	111.2780	0.000	1	111.8995	0.438	6	111.8897	0.366	7	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN){1|N<3>}	N(CN[5a]HH)(CH3)(NOO)	113.0840	0.000	1	113.0840	0.000	1	111.8995	0.438	6	111.8897	0.366	7	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:3:4:	3:4:1:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:H-1:	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CN[5a]HH)(H)	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:3:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN){1|N<3>}	N(CN[5a]HH)(CH3)(NOO)	111.6180	0.000	1	111.6180	0.000	1	111.5920	0.001	2	111.5920	0.001	2	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:1:1:	3:3:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN){1|H<1>}	N(CN[5a]HH)(CH3)(NOO)	111.5660	0.000	1	111.5660	0.000	1	111.5920	0.001	2	111.5920	0.001	2	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:3:1:	3:2:4:	4:1:1:	N[5a]-3:N-3:N-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a]N[5a])(NOO)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN)	N(CN[5a]HN)(O)2	C(N[5a]C[5a]N[5a])(NOO)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN){1|H<1>,1|N<3>}	N(CN[5a]HN)(O)2	111.6137	1.737	4	111.6137	3.018	4	111.6137	3.018	4	111.6137	3.018	4	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:3:1:	3:3:4:	3:4:4:	N[5a]-3:N-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:S-4:	C(N[5a]C[5a,6a]C[5a])(NC[6a]S)(CCI)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	N(C[6a]C[6a]2)(CN[5a]CH)(SC[6a]OO)	C(N[5a]C[5a,6a]C[5a])(NC[6a]S)(CCI)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CN[5a]CH)(SC[6a]OO)	110.3120	0.000	1	110.3120	0.000	1	110.3120	0.000	1	110.7530	0.389	2	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:3:1:	3:3:4:	3:4:4:	N[5a]-3:N-3:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:S-4:	C(N[5a]C[5a]2)(NC[6a]S)(CCI)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN)	N(C[6a]C[6a]2)(CN[5a]CH)(SC[6a]OO)	C(N[5a]C[5a]2)(NC[6a]S)(CCI)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN){1|H<1>}	N(C[6a]C[6a]2)(CN[5a]CH)(SC[6a]OO)	111.1940	0.000	1	111.1940	0.000	1	111.1940	0.000	1	110.7530	0.389	2	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:3:3:	3:2:4:	4:1:1:	N[5a]-3:N-3:N-3:N-3:	C[5a,5a]-3:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a,5a]N[5a])(NOO)3	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3)	N(CN[5a]NN)(O)2	C(N[5a]C[5a,5a]N[5a])(NOO)3	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3){1|N<2>,3|N<3>}	N(CN[5a]NN)(O)2	110.9427	1.378	3	110.9427	1.898	3	110.9427	1.898	3	111.4533	4.194	32	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:3:3:	3:2:4:	4:1:1:	N[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3)	N(CN[5a]NN)(O)2	C(N[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3){1|C<3>,3|N<3>}	N(CN[5a]NN)(O)2	112.0085	2.833	12	112.0085	8.027	12	111.5061	4.477	29	111.4533	4.194	32	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:3:3:3:	3:2:4:	4:1:1:	N[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3)	N(CN[5a]NN)(O)2	C(N[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3){1|N<3>}	N(CN[5a]NN)(O)2	111.1515	1.412	17	111.1515	1.993	17	111.5061	4.477	29	111.4533	4.194	32	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP2	C	N[5a]	N	3:4:3:3:	2:2:4:	4:1:1:	N[5a]-3:C-4:N-3:N-3:	N[5a]-2:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]N[5a]2)(CHHO)(NOO)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCNN)	N(CN[5a]CN)(O)2	C(N[5a]N[5a]2)(CHHO)(NOO)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCNN){1|N<3>}	N(CN[5a]CN)(O)2	107.9530	2.349	2	107.9530	5.518	2	107.9530	5.518	2	107.9530	5.518	2	111.5612	3.617	61	111.5612	3.617	61
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	2:2:4:	4:4:4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:C-4:C-4:	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](N[5a]C[5a])2(CHHN)	N(CC[6a]HH)2(CN[5a]HH)	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](N[5a]C[5a])2(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)2(CN[5a]HH)	115.5335	0.236	4	115.5335	0.056	4	115.5335	0.056	4	115.5335	0.056	4	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:2:4:	3:4:4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:	C(N[5a]C[5a,6a]N[5a])(NC[5a]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(NC[5a]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5a]HH)	113.9865	0.269	2	113.9865	0.073	2	113.9865	0.073	2	113.9865	0.073	2	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){2|N<3>}	N(CN[5a]HH)(CH3)(NOO)	113.4070	0.000	1	113.4070	0.000	1	112.1740	1.136	4	112.1740	1.136	4	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N(CN[5a]HH)(CH3)(NOO)	111.6380	0.000	1	111.6380	0.000	1	112.1740	1.136	4	112.1740	1.136	4	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN){1|N<3>}	N(CN[5a]HH)(CH3)(NOO)	111.0020	0.000	1	111.0020	0.000	1	112.1740	1.136	4	112.1740	1.136	4	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CHHN){1|C<4>,1|N<3>}	N(CN[5a]HH)(CH3)(NOO)	112.6490	0.000	1	112.6490	0.000	1	112.1740	1.136	4	112.1740	1.136	4	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-4:C-4:	C(N[5a]C[5a,6a]N[5a])(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	N(CC[6a]HH)(CN[5a]HH)(CH3)	C(N[5a]C[5a,6a]N[5a])(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CN[5a]HH)(CH3)	116.1740	0.000	1	116.1740	0.000	1	116.1740	0.000	1	113.2870	5.938	7	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:C-4:	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN)	N(CN[5a]HH)3	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN){2|Br<1>}	N(CN[5a]HH)3	112.3817	2.116	3	112.3817	4.479	3	112.8058	5.180	6	113.2870	5.938	7	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:C-4:	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N(CN[5a]HH)3	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|Br<1>,1|C<4>}	N(CN[5a]HH)3	111.6040	0.023	2	111.6040	0.001	2	112.8058	5.180	6	113.2870	5.938	7	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:2:4:	4:4:4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:C-4:	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	N(CN[5a]HH)(CCHH)2	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|H<1>}	N(CN[5a]HH)(CCHH)2	116.4820	0.000	1	116.4820	0.000	1	112.8058	5.180	6	113.2870	5.938	7	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:3:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN){1|N<3>}	N(CN[5a]HH)(CH3)(NOO)	112.2030	0.000	1	112.2030	0.000	1	112.4165	0.091	2	112.4165	0.091	2	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:3:4:	4:4:3:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:N-3:	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN)	N(CN[5a]HH)(CH3)(NOO)	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN){1|C<4>}	N(CN[5a]HH)(CH3)(NOO)	112.6300	0.000	1	112.6300	0.000	1	112.4165	0.091	2	112.4165	0.091	2	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:3:4:	4:4:4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:C-4:C-4:	C(N[5a]C[5a,6a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN)	N(CN[5a]HH)(CCHH)2	C(N[5a]C[5a,6a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN){2|H<1>,4|C<3>}	N(CN[5a]HH)(CCHH)2	112.5340	0.864	2	112.5340	0.747	2	112.5340	0.747	2	113.0553	4.084	4	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:1:1:	3:3:4:	4:4:4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-4:C-4:	C(N[5a]C[5a,6a]C[5a])(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN)	N(CN[5a]HH)2(CCHH)	C(N[5a]C[5a,6a]C[5a])(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN){1|H<1>,2|C<3>}	N(CN[5a]HH)2(CCHH)	113.5765	3.228	2	113.5765	10.420	2	113.5765	10.420	2	113.0553	4.084	4	113.4186	3.437	24	113.4186	3.437	24
490	813	956	0:SP3_SP2_SP3	C	N[5a]	N	3:3:3:1:	2:2:4:	4:4:4:	N[5a]-3:C-3:N-3:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:C-4:S-4:	C(N[5a]N[5a]2)(CCI)(NCS)(H)	N[5a](N[5a]C[5a])2(CCHN)	N(CC[6a]HH)(CN[5a]CH)(SC[6a]OO)	C(N[5a]N[5a]2)(CCI)(NCS)(H)	N[5a](N[5a]C[5a])2(CCHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CN[5a]CH)(SC[6a]OO)	113.1810	0.000	1	113.1810	0.000	1	113.1810	0.000	1	113.1810	0.000	1	113.4186	3.437	24	113.4186	3.437	24
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	2:2:4:	4:1:	N[5a]-3:C-2:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:N-1:	C(N[5a]N[5a]2)(CN)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(N)	C(N[5a]N[5a]2)(CN)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	C(CN[5a]HH)(N)	109.9240	0.000	2	109.9240	0.000	2	109.9240	0.000	2	109.9240	0.000	2	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:2:4:	4:1:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:N-1:	C(N[5a]C[5a,6a]N[5a])(CN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(N)	C(N[5a]C[5a,6a]N[5a])(CN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(N)	112.4945	0.613	2	112.4945	0.376	2	112.4945	0.376	2	112.0703	0.728	3	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:2:4:	4:1:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-1:	C(N[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(N)	C(N[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(CN[5a]HH)(N)	111.2220	0.000	1	111.2220	0.000	1	111.2220	0.000	1	112.0703	0.728	3	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:2:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	C(CN[5a]HH)(CH)	112.4320	0.000	1	112.7435	0.194	2	112.5953	0.163	3	112.5953	0.163	3	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:2:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(CN[5a]HH)(CH)	113.0550	0.000	1	112.7435	0.194	2	112.5953	0.163	3	112.5953	0.163	3	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:2:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(CAu)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(CAu)	112.2990	0.000	1	112.2990	0.000	1	112.5953	0.163	3	112.5953	0.163	3	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:1:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:N-1:	C(N[5a]C[5a]2)(CN)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(N)	C(N[5a]C[5a]2)(CN)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(CN[5a]HH)(N)	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a,6])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a,6])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(CN[5a]HH)(CH)	112.6790	0.000	1	112.6790	0.000	1	112.6790	0.000	1	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]2)(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(CN[5a]HH)(CAu)	C(N[5a]C[5a,6a]2)(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(CN[5a]HH)(CAu)	111.4590	0.000	1	111.4590	0.000	1	112.7635	3.403	2	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]2)(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]2)(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(CN[5a]HH)(CH)	114.0680	0.000	1	114.0680	0.000	1	112.7635	3.403	2	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(CN[5a]HH)(CH)	113.2280	0.000	1	113.2280	0.000	1	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(CC)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	C(CN[5a]HH)(CC)	112.7060	0.163	2	112.7060	0.026	2	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	C(CN[5a]HH)(CH)	112.3110	0.776	2	111.8904	1.048	5	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	C(CN[5a]HH)(CH)	111.6100	1.225	3	111.8904	1.048	5	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(CC)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(CC)	111.9115	1.053	2	111.9115	1.109	2	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(CH)	111.2070	0.000	1	111.2070	0.000	1	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(CN[5a]HH)(CH)	111.9330	0.000	1	112.2440	0.652	13	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5a]HH)(CH)	112.3796	0.923	9	112.2440	0.652	13	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	C(CN[5a]HH)(CH)	111.9410	0.486	3	112.2440	0.652	13	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(CH)	112.7700	0.000	1	112.7700	0.000	1	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(CN[5a]HH)(CH)	112.3887	1.337	3	112.3887	1.788	3	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,2|C<3>}	C(CN[5a]HH)(CH)	113.2700	0.000	1	112.9290	0.233	2	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){3|C<3>}	C(CN[5a]HH)(CH)	112.5880	0.000	1	112.9290	0.233	2	112.2696	0.743	30	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a]2)(CC)(H)2	N[5a](C[5a]C[5a]2)2(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a]2)(CC)(H)2	N[5a](C[5a]C[5a]2)2(CCHH){2|C<3>,2|H<1>,2|S<2>}	C(CN[5a]HH)(CH)	114.8705	0.377	2	114.8705	0.142	2	113.2750	2.721	5	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a]2)(CC)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a]2)(CC)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH){1|Br<1>}	C(CN[5a]HH)(CH)	112.8220	0.141	2	112.8220	0.020	2	113.2750	2.721	5	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a]2)(CC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(CC)	C(N[5a]C[5a]2)(CC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(CN[5a]HH)(CC)	110.9900	0.000	1	110.9900	0.000	1	113.2750	2.721	5	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:2:1:1:	3:3:4:	4:2:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:C-2:	C(N[5a]C[5a]N[5a])(CC)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a]N[5a])(CC)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<1>,3|C<3>}	C(CN[5a]HH)(CH)	111.5500	0.000	1	111.5500	0.000	1	111.5500	0.000	1	112.4159	1.085	39	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:3:2:1:	2:2:4:	4:2:	C[6a]-3:N[5a]-3:C-2:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(CC[6a]N[5a]H)(CC[6a])	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	C(CC[6a]N[5a]H)(CC[6a])	111.0220	0.204	2	111.0220	0.041	2	111.0220	0.041	2	111.0220	0.041	2	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:3:3:2:	3:2:4:	4:2:	N[5a]-3:C[6a]-3:C[6a]-3:C-2:	C[5a]-3:N[5a]-2:C-4:	C-4:C-2:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C)	C(CC[6a]2N[5a])(CRe)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C){2|H<1>}	C(CC[6a]2N[5a])(CRe)	107.1070	0.000	1	107.1070	0.000	1	107.4475	0.232	2	107.4475	0.232	2	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:3:3:2:	3:2:4:	4:2:	N[5a]-3:C[6a]-3:C[6a]-3:C-2:	C[5a]-3:N[5a]-2:C-4:	C-4:C-2:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C)	C(CC[6a]2N[5a])(CRu)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C){2|H<1>}	C(CC[6a]2N[5a])(CRu)	107.7880	0.000	1	107.7880	0.000	1	107.4475	0.232	2	107.4475	0.232	2	111.8892	3.398	53	111.8892	3.398	53
490	813	983	0:SP3_SP1_SP2	C	N[5a]	C	3:3:4:2:	3:2:4:	4:1:	N[5a]-3:C[6a]-3:C-4:C-2:	C[5a]-3:N[5a]-2:C-4:	C-4:N-1:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC)	C(CC[6a]N[5a]C)(N)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC){1|C<3>}	C(CC[6a]N[5a]C)(N)	103.3850	0.000	1	103.3850	0.000	1	103.3850	0.000	1	103.3850	0.000	1	111.8892	3.398	53	111.8892	3.398	53
490	813	992	0:SP3_SP2_SP3	C	N[5a]	P	3:3:4:1:	3:2:4:	4:2:2:1:	N[5a]-3:C[6a]-3:P-4:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:O-2:O-2:O-1:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP)	P(CC[6a]N[5a]H)(OC)2(O)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP){1|S<2>,2|C<3>}	P(CC[6a]N[5a]H)(OC)2(O)	110.8630	0.000	1	110.8630	0.000	1	110.8630	0.000	1	110.8630	0.000	1	114.5670	15.756	3	114.5670	15.756	3
490	813	992	0:SP3_SP2_SP3	C	N[5a]	P	3:4:1:1:	3:3:4:	4:4:4:4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:C-4:C-4:B-4:	C(N[5a]C[5a,6a]B[5a])(PBCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	P(CN[5a]HH)(CCCH)2(BH3)	C(N[5a]C[5a,6a]B[5a])(PBCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	P(CN[5a]HH)(CCCH)2(BH3)	116.4190	3.306	2	116.4190	10.932	2	116.4190	10.932	2	116.4190	10.932	2	114.5670	15.756	3	114.5670	15.756	3
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	2:2:4:	2:2:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-2:N[5]-2:C-4:	N[5]-2:N[5]-2:C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]N[5])2(CC[5]HH)	C[5](N[5]N[5])2(CC[5]HH)	C(C[5]N[5]2)2(H)2	C[5](N[5]N[5])2(CC[5]HH)	C[5](N[5]N[5])2(CC[5]HH)	110.8630	0.699	2	110.8630	0.488	2	110.8630	0.488	2	110.8630	0.488	2	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]Co)(N[5]N[5])(CC[5]HH)	C[5](N[5]C[5]Co)(N[5]N[5])(CC[5]HH)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]Co)(N[5]N[5])(CC[5]HH){1|H<1>,1|N<2>}	C[5](N[5]C[5]Co)(N[5]N[5])(CC[5]HH){1|H<1>,1|N<2>}	111.2950	0.000	1	111.2950	0.000	1	114.0573	5.852	3	113.7020	4.406	4	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-2:C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]H)(N[5]N[5])(CC[5]HH)	C[5](N[5]C[5]H)(N[5]N[5])(CC[5]HH)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]H)(N[5]N[5])(CC[5]HH){1|H<1>,1|N<3>}	C[5](N[5]C[5]H)(N[5]N[5])(CC[5]HH){1|H<1>,1|N<3>}	115.4385	0.508	2	115.4385	0.258	2	114.0573	5.852	3	113.7020	4.406	4	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:S[5]-2:C-4:	N[5]-3:S[5]-2:C-4:	C(C[5]N[5]S[5])2(H)2	C[5](N[5]C[5]W)(S[5]C[5])(CC[5]HH)	C[5](N[5]C[5]W)(S[5]C[5])(CC[5]HH)	C(C[5]N[5]S[5])2(H)2	C[5](N[5]C[5]W)(S[5]C[5])(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5]W)(S[5]C[5])(CC[5]HH){1|C<4>,1|H<1>}	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	113.7020	4.406	4	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:F-1:F-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF){1|C<4>,5|C<3>}	78.6239	9.114	2	78.6239	83.071	2	78.6239	83.071	2	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|C<4>}	112.1715	1.668	2	112.1715	2.782	2	114.2163	1.200	19	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[5]C[5]2)2(H)2	C[5](C[5]N[5]C)2(CC[5]HH)	C[5](C[5]N[5]C)2(CC[5]HH)	C(C[5]C[5]2)2(H)2	C[5](C[5]N[5]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	C[5](C[5]N[5]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	114.8230	0.492	3	114.4568	0.592	17	114.2163	1.200	19	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[5]C[5]2)2(H)2	C[5](C[5]N[5]C)2(CC[5]HH)	C[5](C[5]N[5]C)2(CC[5]HH)	C(C[5]C[5]2)2(H)2	C[5](C[5]N[5]C)2(CC[5]HH){2|H<1>}	C[5](C[5]N[5]C)2(CC[5]HH){2|H<1>}	114.3784	0.809	14	114.4568	0.592	17	114.2163	1.200	19	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])2(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH)	C(C[5]C[5]N[5])2(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH){1|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH){1|C<4>}	112.5340	0.000	1	112.5340	0.000	1	109.7380	15.635	2	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])2(H)2	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CC[5]HH)	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CC[5]HH)	C(C[5]C[5]N[5])2(H)2	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CC[5]HH){1|C<4>}	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CC[5]HH){1|C<4>}	106.9420	0.000	1	106.9420	0.000	1	109.7380	15.635	2	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CC[5]HH)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CC[5]HH){2|C<3>}	120.6150	0.000	1	120.6150	0.000	1	117.4478	9.958	5	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(CC[5]HH)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(CC[5]HH){2|C<3>}	120.3350	0.000	1	120.3350	0.000	1	117.4478	9.958	5	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CC[5]HH)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CC[5]HH){2|C<3>}	117.8270	0.000	1	117.8270	0.000	1	117.4478	9.958	5	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CC[5]HH)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CC[5]HH){2|C<3>}	114.2310	0.791	2	114.2310	0.625	2	117.4478	9.958	5	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5,6a]C)2(CC[5]HH)	C[5](N[5]C[5,6a]C)2(CC[5]HH)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5,6a]C)2(CC[5]HH){2|C<3>}	C[5](N[5]C[5,6a]C)2(CC[5]HH){2|C<3>}	116.9265	1.463	2	116.9265	2.140	2	115.1681	4.902	14	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH){1|H<1>,2|C<3>,2|C<4>}	115.3195	0.326	4	115.3195	0.106	4	115.1681	4.902	14	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]HH)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]HH)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]HH){2|H<1>}	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]HH){2|H<1>}	116.9960	1.601	3	116.9960	2.563	3	115.1681	4.902	14	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]H)2(CC[5]HH)	C[5](N[5]C[5]H)2(CC[5]HH)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]H)2(CC[5]HH){2|C<3>,2|H<1>}	C[5](N[5]C[5]H)2(CC[5]HH){2|C<3>,2|H<1>}	109.1890	0.000	1	109.1890	0.000	1	115.1681	4.902	14	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]N[5]Cu)(N[5]C[5]H)(CC[5]HH)	C[5](N[5]C[5]Cu)(N[5]N[5]H)(CC[5]HH)	C(C[5]N[5]2)2(H)2	C[5](N[5]N[5]Cu)(N[5]C[5]H)(CC[5]HH){1|Cu<5>,1|C<3>}	C[5](N[5]C[5]Cu)(N[5]N[5]H)(CC[5]HH){1|C<3>}	114.2615	0.518	4	114.2615	0.268	4	115.1681	4.902	14	113.0101	68.327	42	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:1:1:	3:4:4:	4:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:	C(C[5]C[5]2)2(H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]2)2(H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[5]HH){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	114.2770	0.000	1	114.2770	0.000	1	114.2770	0.000	1	114.2770	0.000	1	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)3(H)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]2H)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]2H)	C(C[5]N[5]2)3(H)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]2H){2|C<3>}	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]2H){2|C<3>}	112.6467	1.215	3	112.6467	1.477	3	112.6467	1.477	3	112.6467	1.477	3	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:N[5]-3:C[5]-3:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C)	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C)	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C){1|C<4>,1|H<1>}	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C){1|C<4>,1|H<1>}	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	113.9156	0.520	5	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:C[5]-3:C[5]-3:	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|H<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|H<1>}	112.7380	0.000	1	112.7380	0.000	1	113.9052	0.693	4	113.9156	0.520	5	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:C[5]-3:C[5]-3:	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N){2|H<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N){2|H<1>}	113.8760	0.000	1	113.8760	0.000	1	113.9052	0.693	4	113.9156	0.520	5	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:C[5]-3:C[5]-3:	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)2	C[5](CC[6a]C[5]H)(C[5]C[5]O)2	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)2{4|H<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]O)2{4|H<1>}	114.5035	0.019	2	114.5035	0.000	2	113.9052	0.693	4	113.9156	0.520	5	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C[5]-3:O-2:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])3(OH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CC[5]2O)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CC[5]2O)	C(C[5]C[5]N[5])3(OH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CC[5]2O){2|C<4>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CC[5]2O){2|C<4>}	109.4950	1.787	3	109.4950	3.192	3	109.4950	3.192	3	106.8992	6.887	12	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C[5]-3:O-2:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)3(OC)	C[5](N[5]C[5]Re)(N[5]C[5]C)(CC[5]2O)	C[5](N[5]C[5]Re)(N[5]C[5]C)(CC[5]2O)	C(C[5]N[5]2)3(OC)	C[5](N[5]C[5]Re)(N[5]C[5]C)(CC[5]2O){2|H<1>}	C[5](N[5]C[5]Re)(N[5]C[5]C)(CC[5]2O){2|H<1>}	106.3090	3.525	3	106.3090	12.428	3	106.0340	5.303	9	106.8992	6.887	12	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C[5]-3:O-2:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)3(OH)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]2O)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]2O)	C(C[5]N[5]2)3(OH)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]2O){2|H<1>}	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]2O){2|H<1>}	105.4827	1.359	3	105.4827	1.848	3	106.0340	5.303	9	106.8992	6.887	12	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C[5]-3:O-2:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)3(OH)	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CC[5]2O)	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CC[5]2O)	C(C[5]N[5]2)3(OH)	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CC[5]2O){2|H<1>}	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CC[5]2O){2|H<1>}	106.3103	2.500	3	106.3103	6.251	3	106.0340	5.303	9	106.8992	6.887	12	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	3:4:2:	3:4:2:	C[5]-3:C[5]-3:C[6a]-3:O-2:	N[5]-3:C-4:S[5]-2:	N[5]-3:C-4:S[5]-2:	C(C[5]N[5]S[5])2(C[6a]C[6a]2)(OC)	C[5](N[5]C[5,6a]Bi)(CC[6a]C[5]O)(S[5]C[5,6a])	C[5](N[5]C[5,6a]Bi)(CC[6a]C[5]O)(S[5]C[5,6a])	C(C[5]N[5]S[5])2(C[6a]C[6a]2)(OC)	C[5](N[5]C[5,6a]Bi)(CC[6a]C[5]O)(S[5]C[5,6a]){2|C<3>}	C[5](N[5]C[5,6a]Bi)(CC[6a]C[5]O)(S[5]C[5,6a]){2|C<3>}	104.7183	0.458	3	104.7183	0.210	3	104.7183	0.210	3	104.7183	0.210	3	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:N[5]-3:N[5]-3:	C(C[5a]N[5a]2)(C[5]N[5]2)2(OC)	C[5](CC[5a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	C[5](CC[5a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	C(C[5a]N[5a]2)(C[5]N[5]2)2(OC)	C[5](CC[5a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	C[5](CC[5a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	114.2480	0.000	1	114.2480	0.000	1	114.2480	0.000	1	113.5197	2.341	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[6]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:N[5]-3:N[5]-3:	C(C[6]C[6]N[6])(C[5]N[5]2)2(OC)	C[5](CC[5]C[6]O)(N[5]C[5]Cu)(N[5]C[5]C)	C[5](CC[5]C[6]O)(N[5]C[5]Cu)(N[5]C[5]C)	C(C[6]C[6]N[6])(C[5]N[5]2)2(OC)	C[5](CC[5]C[6]O)(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>}	C[5](CC[5]C[6]O)(N[5]C[5]Cu)(N[5]C[5]C){2|H<1>}	114.8390	0.000	1	114.8390	0.000	1	114.8390	0.000	1	113.5197	2.341	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:N-2:	C-4:N[5]-3:N[5]-3:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]2)(C[5]N[5]2)2(NC[6a])	C[5](CC[6a]C[5]N)(N[5]C[5]O)2	C[5](CC[6a]C[5]N)(N[5]C[5]O)2	C(C[6a]C[6a]2)(C[5]N[5]2)2(NC[6a])	C[5](CC[6a]C[5]N)(N[5]C[5]O)2{4|C<4>}	C[5](CC[6a]C[5]N)(N[5]C[5]O)2{4|C<4>}	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	113.5197	2.341	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Co)(N[5]C[5]C)	C[5](CC[6a]C[5]O)(N[5]C[5]Co)(N[5]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Co)(N[5]C[5]C){2|H<1>}	C[5](CC[6a]C[5]O)(N[5]C[5]Co)(N[5]C[5]C){2|H<1>}	114.4445	0.170	2	114.4445	0.029	2	113.7437	0.538	15	113.5197	2.341	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	113.4526	0.650	9	113.4526	0.422	9	113.7437	0.538	15	113.5197	2.341	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OH)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OH)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|H<1>}	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|H<1>}	113.4935	0.592	2	113.4935	0.350	2	113.7437	0.538	15	113.5197	2.341	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>}	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	114.1440	0.000	1	114.6030	0.421	2	113.7437	0.538	15	113.5197	2.341	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>}	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|H<1>}	115.0620	0.000	1	114.6030	0.421	2	113.7437	0.538	15	113.5197	2.341	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:3:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6]-3:N[5]-3:C-4:	C(C[5]C[5,6]N[5])4	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[5]3)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[5]3)	C(C[5]C[5,6]N[5])4	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[5]3){1|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[5]3){1|H<1>,3|C<3>}	110.6990	4.258	4	110.6990	18.127	4	110.6990	18.127	4	110.6990	18.127	4	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:3:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-3:C-4:N[5]-3:	C[5,6]-3:C-4:N[5]-3:	C(C[5]C[5,6]N[5])3(C[6]C[6]N[6])	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe)	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe)	C(C[5]C[5,6]N[5])3(C[6]C[6]N[6])	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe){1|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe){1|H<1>,3|C<3>}	109.5033	5.341	3	109.5033	28.521	3	109.5033	28.521	3	109.5033	28.521	3	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C-4:C[5]-3:N[5]-2:	C-4:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)2	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5])	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)2	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	103.0580	0.000	1	103.0580	0.000	1	103.0580	0.000	1	103.0580	0.000	1	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:O-3:	C-4:N[5]-3:C[5]-3:	C-4:N[5]-3:C[5]-3:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(OCu2)	C[5](CC[6a]C[5]O)(N[5]N[5]Cu)(C[5]N[5]H)	C[5](CC[6a]C[5]O)(N[5]N[5]Cu)(C[5]N[5]H)	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(OCu2)	C[5](CC[6a]C[5]O)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>}	C[5](CC[6a]C[5]O)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>}	109.1987	1.368	3	109.1987	1.873	3	109.1987	1.873	3	109.1987	1.873	3	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:4:	2:2:4:	2:2:4:	C[5]-3:C[5]-3:C[5]-3:C-4:	N[5]-2:O[5]-2:C-4:	N[5]-2:O[5]-2:C-4:	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:4:	2:2:4:	4:3:4:	C[5]-3:C[5]-3:C[5]-3:C-4:	N[5]-2:O[5]-2:C-4:	C[5]-4:C[5]-3:C-4:	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C){2|C<4>}	110.8440	2.014	2	110.8440	4.056	2	110.8440	4.056	2	110.8440	4.056	2	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	C(C[5]C[5]N[5])3(CH3)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]2C)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]2C)	C(C[5]C[5]N[5])3(CH3)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]2C){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]2C){1|C<4>,1|H<1>}	110.8647	0.631	3	110.8647	0.398	3	110.8647	0.398	3	110.2176	10.245	9	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C[5]-3:C-4:	N[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	C(C[5]N[5]O[5])3(CH3)	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]2C)	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])3(CH3)	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	109.8940	3.982	6	109.8940	15.855	6	109.8940	15.855	6	110.2176	10.245	9	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:3:4:	4:3:2:	4:3:2:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C-4:C[5]-3:N[5]-2:	C-4:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])2(CH3)	C[5](CC[5a]C[5]C)(C[5]C[5]H)(N[5]C[5])	C[5](CC[5a]C[5]C)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])2(CH3)	C[5](CC[5a]C[5]C)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](CC[5a]C[5]C)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6]-3:N[5]-3:C-4:	C(C[5]C[5,6]N[5])2(CC[5]2H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cu)(CC[5]CH)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cu)(CC[5]CH)	C(C[5]C[5,6]N[5])2(CC[5]2H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cu)(CC[5]CH){1|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cu)(CC[5]CH){1|H<1>,3|C<3>}	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	111.3542	2.907	10	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(CCCH)(H)	C[5](N[5]C[5]H)2(CC[5]CH)	C[5](N[5]C[5]H)2(CC[5]CH)	C(C[5]N[5]2)2(CCCH)(H)	C[5](N[5]C[5]H)2(CC[5]CH){2|H<1>}	C[5](N[5]C[5]H)2(CC[5]CH){2|H<1>}	110.9160	0.000	1	110.9160	0.000	1	110.2672	1.119	6	111.3542	2.907	10	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CH)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CH)	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CH){2|C<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CH){2|C<3>}	110.6240	0.000	1	110.6240	0.000	1	110.2672	1.119	6	111.3542	2.907	10	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CC[5]CH)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CC[5]CH)	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CC[5]CH){2|C<3>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CC[5]CH){2|C<3>}	111.6870	0.000	1	111.6870	0.000	1	110.2672	1.119	6	111.3542	2.907	10	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]CH)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]CH)	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]CH){1|C<4>,1|H<1>}	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]CH){1|C<4>,1|H<1>}	110.3010	0.000	1	110.3010	0.000	1	110.2672	1.119	6	111.3542	2.907	10	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5]H)2(CC[5]CH)	C[5](N[5]C[5]H)2(CC[5]CH)	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5]H)2(CC[5]CH){2|H<1>}	C[5](N[5]C[5]H)2(CC[5]CH){2|H<1>}	108.9750	0.000	1	108.9750	0.000	1	110.2672	1.119	6	111.3542	2.907	10	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(CC[6a]2H)(H)	C[5](N[5]C[5]Pd)(N[5]C[5]C)(CC[5]CH)	C[5](N[5]C[5]Pd)(N[5]C[5]C)(CC[5]CH)	C(C[5]N[5]2)2(CC[6a]2H)(H)	C[5](N[5]C[5]Pd)(N[5]C[5]C)(CC[5]CH){2|H<1>}	C[5](N[5]C[5]Pd)(N[5]C[5]C)(CC[5]CH){2|H<1>}	109.1000	0.000	1	109.1000	0.000	1	110.2672	1.119	6	111.3542	2.907	10	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:N-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(NCuCH)(H)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CC[5]HN)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CC[5]HN)	C(C[5]N[5]2)2(NCuCH)(H)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CC[5]HN){2|H<1>}	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CC[5]HN){2|H<1>}	112.3660	1.144	2	112.3660	1.309	2	112.7803	1.169	3	111.3542	2.907	10	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:N-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(NH3)(H)	C[5](N[5]C[5]H)2(CC[5]HN)	C[5](N[5]C[5]H)2(CC[5]HN)	C(C[5]N[5]2)2(NH3)(H)	C[5](N[5]C[5]H)2(CC[5]HN){2|H<1>}	C[5](N[5]C[5]H)2(CC[5]HN){2|H<1>}	113.6090	0.000	1	113.6090	0.000	1	112.7803	1.169	3	111.3542	2.907	10	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:2:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-3:S[5]-2:C-4:	C[5]-3:S[5]-2:C-4:	C(C[5]C[5]S[5])2(CH3)(OH)	C[5](C[5]S[5]C)(S[5]C[5])(CC[5]CO)	C[5](C[5]S[5]C)(S[5]C[5])(CC[5]CO)	C(C[5]C[5]S[5])2(CH3)(OH)	C[5](C[5]S[5]C)(S[5]C[5])(CC[5]CO){1|C<3>}	C[5](C[5]S[5]C)(S[5]C[5])(CC[5]CO){1|C<3>}	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:2:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:O-2:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(CCCS)(OC)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO)	C(C[5]N[5]2)2(CCCS)(OC)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO){2|C<3>}	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO){2|C<3>}	109.5490	0.000	1	109.5490	0.000	1	111.6893	2.978	4	111.6893	2.978	4	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:2:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:O-2:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(CCCS)(OC)	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CC[5]CO)	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CC[5]CO)	C(C[5]N[5]2)2(CCCS)(OC)	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CC[5]CO){2|C<3>}	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CC[5]CO){2|C<3>}	113.6030	0.000	1	113.6030	0.000	1	111.6893	2.978	4	111.6893	2.978	4	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:2:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:O-2:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(CCCS)(OH)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO)	C(C[5]N[5]2)2(CCCS)(OH)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO){2|C<3>}	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO){2|C<3>}	111.2260	0.000	1	111.2260	0.000	1	111.6893	2.978	4	111.6893	2.978	4	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:2:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:O-2:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)2(CH3)(OC)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CO)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CO)	C(C[5]N[5]2)2(CH3)(OC)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CO){2|C<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CO){2|C<3>}	112.3790	0.000	1	112.3790	0.000	1	111.6893	2.978	4	111.6893	2.978	4	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	2:2:4:	2:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-2:O[5]-2:C-4:	N[5]-2:O[5]-2:C-4:	C(C[5]N[5]O[5])2(CCHH)(CH3)	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC)	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CCHH)(CH3)	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	106.2040	0.000	1	106.2040	0.000	1	108.4255	9.870	2	107.1543	9.783	3	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	2:2:4:	2:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-2:O[5]-2:C-4:	N[5]-2:O[5]-2:C-4:	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC)	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC){1|C<3>,3|H<1>}	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC){1|C<3>,3|H<1>}	110.6470	0.000	1	110.6470	0.000	1	108.4255	9.870	2	107.1543	9.783	3	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	2:2:4:	2:2:4:	C[5]-3:C[5]-3:C[5]-4:C-4:	N[5]-2:O[5]-2:C-4:	N[5]-2:O[5]-2:C-4:	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	104.6120	0.000	1	104.6120	0.000	1	104.6120	0.000	1	107.1543	9.783	3	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:2:4:	2:2:4:	C[5]-3:C[5]-3:C[5]-4:C-4:	N[5]-3:O[5]-2:C-4:	N[5]-2:O[5]-2:C-4:	C(C[5]N[5]O[5])2(C[5]C[5]2Ti)(CH3)	C[5](N[5]C[5]Ti)(O[5]C[5])(CC[5]2C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2Ti)(CH3)	C[5](N[5]C[5]Ti)(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	C(C[5]C[5]N[5])2(CCHH)2	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C(C[5]C[5]N[5])2(CCHH)2	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	109.7055	2.244	2	109.7055	5.034	2	108.2970	8.469	3	111.3837	7.368	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	C(C[5]C[5]N[5])2(CH3)2	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C(C[5]C[5]N[5])2(CH3)2	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	105.4800	0.000	1	105.4800	0.000	1	108.2970	8.469	3	111.3837	7.368	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC)	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	112.9730	0.173	2	112.9730	0.030	2	112.0011	5.287	15	111.3837	7.368	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	C[5](N[5]C[5]Fe)(O[5]C[5])(CC[5]CC)	C[5](N[5]C[5]Fe)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	C[5](N[5]C[5]Fe)(O[5]C[5])(CC[5]CC){2|C<4>,2|H<1>}	C[5](N[5]C[5]Fe)(O[5]C[5])(CC[5]CC){2|C<4>,2|H<1>}	114.7590	0.000	1	114.7590	0.000	1	112.0011	5.287	15	111.3837	7.368	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5,6a]Ru)(O[5]C[5,6a])(CC[5]CC)	C[5](N[5]C[5,6a]Ru)(O[5]C[5,6a])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5,6a]Ru)(O[5]C[5,6a])(CC[5]CC){2|C<3>}	C[5](N[5]C[5,6a]Ru)(O[5]C[5,6a])(CC[5]CC){2|C<3>}	109.1530	0.000	1	109.1530	0.000	1	112.0011	5.287	15	111.3837	7.368	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC)	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC){1|C<3>,3|H<1>}	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC){1|C<3>,3|H<1>}	111.8505	0.555	2	112.8865	1.876	4	112.0011	5.287	15	111.3837	7.368	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC)	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	113.9225	1.013	2	112.8865	1.876	4	112.0011	5.287	15	111.3837	7.368	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC){1|C<3>,3|H<1>}	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC){1|C<3>,3|H<1>}	112.4710	0.389	2	112.5668	1.230	5	112.0011	5.287	15	111.3837	7.368	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	113.2540	1.551	2	112.5668	1.230	5	112.0011	5.287	15	111.3837	7.368	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC){1|H<1>,3|C<3>}	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC){1|H<1>,3|C<3>}	111.3840	0.000	1	112.5668	1.230	5	112.0011	5.287	15	111.3837	7.368	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CC[5]CC)	C[5](N[5]C[5]Pd)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	C[5](N[5]C[5]Pd)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	107.8890	2.698	2	107.8890	7.281	2	112.0011	5.287	15	111.3837	7.368	18	111.4414	27.327	152	111.4414	27.327	152
490	818	818	0:SP3_SP2_SP2	C	C[5]	C[5]	3:3:4:4:	3:4:4:	3:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:P[5]-4:C-4:	C[5]-3:N[5]-2:C-4:	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(CH3)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5]CC)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(CH3)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5]CC){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	111.4414	27.327	152	111.4414	27.327	152
490	818	830	0:SP3_SP-NON_SP2	C	C[5,6]	F	3:1:1:1:	4:3:4:	4:	C[5,6]-3:F-1:F-1:F-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	F(CC[5,6]FF)	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|N<3>,2|C<4>,4|H<1>}	F(CC[5,6]FF)	112.1737	0.911	8	112.1425	1.147	11	112.1425	1.147	11	112.1399	2.199	29	112.1399	2.199	29	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5,6]	F	3:1:1:1:	4:3:4:	4:	C[5,6]-3:F-1:F-1:F-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	F(CC[5,6]FF)	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|S<2>,2|C<4>,4|H<1>}	F(CC[5,6]FF)	112.0590	1.678	3	112.1425	1.147	11	112.1425	1.147	11	112.1399	2.199	29	112.1399	2.199	29	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5,6]	F	3:1:1:1:	4:3:4:	4:	C[5,6]-3:F-1:F-1:F-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(F)3	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3)	F(CC[5,6]FF)	C(C[5,6]C[5,5,6]C[5,6])(F)3	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3){1|C<3>,1|O<2>,2|C<4>}	F(CC[5,6]FF)	112.1230	1.991	6	112.1230	3.962	6	112.1383	2.947	18	112.1399	2.199	29	112.1399	2.199	29	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5,6]	F	3:1:1:1:	4:3:4:	4:	C[5,6]-3:F-1:F-1:F-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(F)3	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	F(CC[5,6]FF)	C(C[5,6]C[5,5,6]C[5,6])(F)3	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	F(CC[5,6]FF)	112.1459	1.659	12	112.1459	2.754	12	112.1383	2.947	18	112.1399	2.199	29	112.1399	2.199	29	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	2:2:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(F)3	C[5](N[5]C[5])2(CF3)	F(CC[5]FF)	C(C[5]N[5]2)(F)3	C[5](N[5]C[5])2(CF3){2|C<2>}	F(CC[5]FF)	111.9566	0.352	9	111.9566	0.124	9	111.9566	0.124	9	111.7816	0.480	15	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	2:2:4:	4:	C[5]-3:F-1:F-1:F-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(F)3	C[5](O[5]Si[5,5])(N[5]N[5])(CF3)	F(CC[5]FF)	C(C[5]N[5]O[5])(F)3	C[5](O[5]Si[5,5])(N[5]N[5])(CF3){1|N<3>,1|O<2>,3|C<4>}	F(CC[5]FF)	111.1277	1.394	3	111.5192	1.008	6	111.5192	1.008	6	111.7816	0.480	15	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	2:2:4:	4:	C[5]-3:F-1:F-1:F-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(F)3	C[5](O[5]Si[5,5])(N[5]N[5])(CF3)	F(CC[5]FF)	C(C[5]N[5]O[5])(F)3	C[5](O[5]Si[5,5])(N[5]N[5])(CF3){1|N<4>,1|O<2>,2|C<4>}	F(CC[5]FF)	111.9107	0.343	3	111.5192	1.008	6	111.5192	1.008	6	111.7816	0.480	15	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	2:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-2:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]C[5,6])(C[5]C[5]I)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]C[5,6])(C[5]C[5]I)(CF3){3|C<3>}	F(CC[5]FF)	111.5750	0.873	3	111.5750	0.763	3	111.5750	0.763	3	111.5750	0.763	3	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:2:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]H)(N[5]N[5])(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]H)(N[5]N[5])(CF3){1|C<4>}	F(CC[5]FF)	113.1178	0.318	6	113.1178	0.101	6	113.1178	0.101	6	111.8305	1.076	46	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:2:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(F)3	C[5](C[5]S[5]H)(S[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]C[5]S[5])(F)3	C[5](C[5]S[5]H)(S[5]C[5])(CF3){1|C<3>}	F(CC[5]FF)	112.2305	0.836	6	112.2305	0.698	6	112.2305	0.698	6	111.8305	1.076	46	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:2:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]B)(C[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]B)(C[5]C[5])(CF3){1|C<4>}	F(CC[5]FF)	112.0337	1.809	3	112.0337	3.274	3	112.0337	3.274	3	111.8305	1.076	46	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:2:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(F)3	C[5](N[5]C[5]Cu)(N[5]N[5])(CF3)	F(CC[5]FF)	C(C[5]N[5]2)(F)3	C[5](N[5]C[5]Cu)(N[5]N[5])(CF3){1|C<3>,1|H<1>}	F(CC[5]FF)	111.9798	0.833	9	111.9998	0.540	12	111.4843	0.771	31	111.8305	1.076	46	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:2:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(F)3	C[5](N[5]C[5]Cu)(N[5]N[5])(CF3)	F(CC[5]FF)	C(C[5]N[5]2)(F)3	C[5](N[5]C[5]Cu)(N[5]N[5])(CF3){1|Cu<4>,1|C<3>}	F(CC[5]FF)	112.0600	0.431	3	111.9998	0.540	12	111.4843	0.771	31	111.8305	1.076	46	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:2:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(F)3	C[5](N[5]C[6a]N[5])(N[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]N[5]2)(F)3	C[5](N[5]C[6a]N[5])(N[5]C[5])(CF3){1|C<4>,3|C<3>}	F(CC[5]FF)	111.0940	1.395	3	111.0940	1.946	3	111.4843	0.771	31	111.8305	1.076	46	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:2:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(F)3	C[5](N[5]N[5]B)(N[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]N[5]2)(F)3	C[5](N[5]N[5]B)(N[5]C[5])(CF3){1|Cu<4>,1|C<4>}	F(CC[5]FF)	110.9615	0.936	8	110.9615	0.877	8	111.4843	0.771	31	111.8305	1.076	46	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:2:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(F)3	C[5](N[5]N[5]Cu)(N[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]N[5]2)(F)3	C[5](N[5]N[5]Cu)(N[5]C[5])(CF3){1|B<4>,1|C<4>}	F(CC[5]FF)	111.3801	0.419	8	111.3801	0.176	8	111.4843	0.771	31	111.8305	1.076	46	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5,6a]C[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3){1|C<4>,1|H<1>,3|C<3>}	F(CC[5]FF)	112.7243	0.659	6	112.7243	0.434	6	113.2532	0.376	21	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5,6a]C[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3){1|H<1>,3|C<3>}	F(CC[5]FF)	113.4647	0.464	15	113.4647	0.215	15	113.2532	0.376	21	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CF3)	F(CC[5]FF)	C(C[5]C[5,6a]N[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CF3){1|B<4>,1|F<1>,2|C<3>}	F(CC[5]FF)	111.8279	0.637	9	111.8279	0.406	9	111.8279	0.406	9	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(F)3	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(CF3)	F(CC[5]FF)	C(C[5]C[5]2)(F)3	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(CF3){2|C<3>,2|C<4>}	F(CC[5]FF)	112.4860	0.973	2	112.4860	0.947	2	112.9053	1.179	15	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(F)3	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]2)(F)3	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CF3){2|C<3>}	F(CC[5]FF)	113.1143	1.426	6	113.1143	2.034	6	112.9053	1.179	15	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(F)3	C[5](C[5]C[5]C)2(CF3)	F(CC[5]FF)	C(C[5]C[5]2)(F)3	C[5](C[5]C[5]C)2(CF3){2|C<3>}	F(CC[5]FF)	113.4770	1.030	3	113.4770	1.062	3	112.9053	1.179	15	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(F)3	C[5](C[5]N[5]C)2(CF3)	F(CC[5]FF)	C(C[5]C[5]2)(F)3	C[5](C[5]N[5]C)2(CF3){2|Cu<3>}	F(CC[5]FF)	112.3727	0.423	4	112.3727	0.179	4	112.9053	1.179	15	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]Br)(N[5]N[5]B)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]Br)(N[5]N[5]B)(CF3){1|Cu<4>,1|C<4>}	F(CC[5]FF)	111.9441	0.851	9	111.9441	0.724	9	112.3803	2.709	36	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CF3){1|B<4>,1|C<4>}	F(CC[5]FF)	113.9916	1.781	9	113.9916	3.173	9	112.3803	2.709	36	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CF3){1|Zn<5>,1|C<4>}	F(CC[5]FF)	111.6392	1.663	9	111.6392	2.765	9	112.3803	2.709	36	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3){1|Cu<4>,1|C<3>}	F(CC[5]FF)	113.0830	0.972	3	111.9463	1.226	9	112.3803	2.709	36	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3){1|Pd<4>,1|C<4>}	F(CC[5]FF)	111.3780	0.649	6	111.9463	1.226	9	112.3803	2.709	36	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5,6,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6a]C[5])(F)3	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]N[5,6,6a]C[5])(F)3	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CF3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	F(CC[5]FF)	111.2777	1.030	6	111.2777	1.061	6	111.2777	1.061	6	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CF3){1|Cu<3>,1|C<4>}	F(CC[5]FF)	111.7948	0.689	6	111.7948	0.475	6	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|B<4>,1|C<3>}	F(CC[5]FF)	112.4047	0.717	3	112.1994	1.153	42	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|C<3>,1|H<1>}	F(CC[5]FF)	113.0097	1.478	3	112.1994	1.153	42	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|Cu<3>,1|C<4>}	F(CC[5]FF)	112.3506	1.320	12	112.1994	1.153	42	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|Cu<4>,1|C<4>}	F(CC[5]FF)	111.9969	0.918	24	112.1994	1.153	42	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3){1|Li<3>,1|C<4>}	F(CC[5]FF)	113.3220	0.400	3	113.0599	0.731	12	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3){1|Rh<4>,1|C<4>}	F(CC[5]FF)	112.5295	0.585	6	113.0599	0.731	12	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3){1|Ru<8>,1|C<4>}	F(CC[5]FF)	113.8587	1.050	3	113.0599	0.731	12	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CF3){1|B<4>,1|C<4>}	F(CC[5]FF)	111.9291	1.345	9	111.9291	1.809	9	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Os)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Os)(C[5]C[5]H)(CF3){1|Os<5>,1|C<4>}	F(CC[5]FF)	111.5613	1.345	9	111.5613	1.810	9	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CF3){1|C<4>,1|H<1>}	F(CC[5]FF)	111.6830	0.906	6	111.6830	0.820	6	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3){1|Li<3>,1|C<4>}	F(CC[5]FF)	112.3290	0.764	6	112.7059	4.150	48	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3){1|Rh<4>,1|C<4>}	F(CC[5]FF)	113.0287	2.322	30	112.7059	4.150	48	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3){1|Rh<6>,1|C<4>}	F(CC[5]FF)	112.0874	1.572	12	112.7059	4.150	48	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CF3){1|Li<3>,1|C<4>}	F(CC[5]FF)	112.5683	2.377	3	112.5683	5.650	3	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CF3){1|B<4>,1|C<4>}	F(CC[5]FF)	111.6526	1.033	9	111.6526	1.067	9	112.3183	2.341	144	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(F)3	C[5](N[5]C[5,6a]H)2(CF3)	F(CC[5]FF)	C(C[5]N[5]2)(F)3	C[5](N[5]C[5,6a]H)2(CF3){2|C<3>}	F(CC[5]FF)	110.9413	0.854	6	110.9413	0.730	6	110.9413	0.730	6	112.3679	2.157	237	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	4:2:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5,5])(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5,5])(CF3){1|H<1>,2|C<3>,2|C<4>}	F(CC[5]FF)	113.3123	1.140	3	113.3123	1.299	3	113.1211	1.901	9	113.1211	1.901	9	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	4:2:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]HH)(N[5]N[5])(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]HH)(N[5]N[5])(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[5]FF)	112.4750	1.948	3	112.4750	3.793	3	113.1211	1.901	9	113.1211	1.901	9	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	4:2:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CF3)	F(CC[5]FF)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CF3){2|H<1>,3|C<3>}	F(CC[5]FF)	113.5760	1.233	3	113.5760	1.521	3	113.1211	1.901	9	113.1211	1.901	9	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	4:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(F)3	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CF3)	F(CC[5]FF)	C(C[5]C[5]2)(F)3	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CF3){1|S<4>,4|C<3>}	F(CC[5]FF)	112.9560	1.698	3	112.9560	2.883	3	113.0782	1.304	6	113.0782	1.304	6	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:1:1:1:	4:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(F)3	C[5](C[5]N[5]HH)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[5]2)(F)3	C[5](C[5]N[5]HH)(C[5]C[5]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[5]FF)	113.2003	0.575	3	113.2003	0.331	3	113.0782	1.304	6	113.0782	1.304	6	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:F-1:F-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CNO)(F)2	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF)	F(CC[5]CF)	C(C[5]C[5]2)(CNO)(F)2	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF){2|C<3>,2|C<4>,2|H<1>}	F(CC[5]CF)	109.7280	1.771	2	109.7280	3.135	2	110.3347	1.935	4	114.6195	11.788	12	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:F-1:F-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(COO)(F)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF)	F(CC[5]CF)	C(C[5]C[5]2)(COO)(F)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF){4|C<3>}	F(CC[5]CF)	110.9415	1.094	2	110.9415	1.197	2	110.3347	1.935	4	114.6195	11.788	12	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:F-1:F-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	F(CC[5]2F)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	F(CC[5]2F)	116.5550	1.399	4	116.5550	1.957	4	116.5550	1.957	4	114.6195	11.788	12	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:F-1:F-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF)	F(CC[5]2F)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF){1|C<4>,5|C<3>}	F(CC[5]2F)	116.9688	1.581	4	116.9688	2.500	4	116.9688	2.500	4	114.6195	11.788	12	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:3:3:1:	2:2:4:	4:	C[5]-3:N-3:N-3:F-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(NOO)2(F)	C[5](N[5]N[5])2(CFNN)	F(CC[5]NN)	C(C[5]N[5]2)(NOO)2(F)	C[5](N[5]N[5])2(CFNN)	F(CC[5]NN)	113.4220	0.629	3	113.4220	0.395	3	113.4220	0.395	3	113.4220	0.395	3	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:F-1:F-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CCFF)(F)2	C[5](N[5]S[5])2(CCFF)	F(CC[5]CF)	C(C[5]N[5]2)(CCFF)(F)2	C[5](N[5]S[5])2(CCFF)	F(CC[5]CF)	110.2720	0.110	2	110.2720	0.012	2	110.2720	0.012	2	109.5840	0.327	8	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:F-1:F-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(CCFF)(F)2	C[5](N[5]S[5])(S[5]S[5])(CCFF)	F(CC[5]CF)	C(C[5]N[5]S[5])(CCFF)(F)2	C[5](N[5]S[5])(S[5]S[5])(CCFF)	F(CC[5]CF)	109.1405	0.074	2	109.1405	0.006	2	109.3547	0.203	6	109.5840	0.327	8	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:F-1:F-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(CC[5]FF)(F)2	C[5](N[5]S[5])(S[5]S[5])(CCFF)	F(CC[5]CF)	C(C[5]N[5]S[5])(CC[5]FF)(F)2	C[5](N[5]S[5])(S[5]S[5])(CCFF)	F(CC[5]CF)	109.8045	0.368	2	109.8045	0.136	2	109.3547	0.203	6	109.5840	0.327	8	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:F-1:F-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(CF3)(F)2	C[5](N[5]S[5])(S[5]S[5])(CCFF)	F(CC[5]CF)	C(C[5]N[5]S[5])(CF3)(F)2	C[5](N[5]S[5])(S[5]S[5])(CCFF)	F(CC[5]CF)	109.1190	0.515	2	109.1190	0.265	2	109.3547	0.203	6	109.5840	0.327	8	112.2655	2.802	343	112.2557	2.750	372
490	818	830	0:SP3_SP-NON_SP2	C	C[5]	F	3:4:1:1:	3:4:4:	4:	C[5]-3:C-4:F-1:F-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(F)2	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF)	F(CC[5]CF)	C(C[5]C[5]2)(CCHH)(F)2	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF){1|O<2>,3|C<3>}	F(CC[5]CF)	107.8200	1.219	4	107.8200	1.486	4	107.8200	1.486	4	107.8200	1.486	4	112.2655	2.802	343	112.2557	2.750	372
490	818	849	0:SP3_SP2_SP3	C	C[5]	P[6]	3:4:1:1:	3:2:4:	2:2:4:1:	C[5]-3:P[6]-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	O[6]-2:O[6]-2:C-4:O-1:	C(C[5]C[5]N[5])(P[6]O[6]2O)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CP[6]HH)	P[6](O[6]C[6])2(CC[5]HH)(O)	C(C[5]C[5]N[5])(P[6]O[6]2O)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CP[6]HH){1|C<3>,1|C<4>}	P[6](O[6]C[6])2(CC[5]HH)(O){1|C<4>,4|H<1>}	116.6650	2.292	2	116.6650	5.255	2	116.6650	5.255	2	116.6650	5.255	2	116.6650	5.255	2	116.6650	5.255	2
490	818	854	0:SP3_SP2_SP3	C	C[5]	N[6]	4:3:1:1:	2:2:4:	4:4:4:1:	N[6]-4:C[5]-3:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(C[5]N[5]2)(H)2	C[5](N[5]N[5])2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C(N[6]C[6]2H)(C[5]N[5]2)(H)2	C[5](N[5]N[5])2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1
490	818	856	0:SP3_SP2_SP3	C	C[5]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]O[5]O)(CN[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH)	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]O[5]O)(CN[6]HH){2|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH){2|C<3>,2|H<1>}	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	113.2882	3.507	5	113.2882	3.507	5	113.2882	3.507	5
490	818	856	0:SP3_SP2_SP3	C	C[5]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5]-3:N[6]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[5]HH)	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CN[6]HH){1|Ir<5>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	113.7110	1.867	4	113.7110	3.485	4	113.7110	3.485	4	113.2882	3.507	5	113.2882	3.507	5	113.2882	3.507	5
490	818	863	0:SP3_SP2_SP2	C	C[5]	O	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:O-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)2(O)	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO)	O(CC[5]HH)	C(C[5]C[5]N[5])(H)2(O)	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO){1|C<3>}	O(CC[5]HH)	111.1645	2.132	2	111.1645	4.545	2	111.1645	4.545	2	111.1645	4.545	2	111.1645	4.545	2	111.1645	4.545	2
490	818	880	0:SP3_SP2_SP3	C	C[5]	Si	3:4:1:1:	3:3:4:	4:4:4:4:	C[5]-3:Si-4:H-1:H-1:	C[5,5a]-3:C[5,6]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[5]C[5,5a]C[5,6])(SiC3)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH)	Si(CC[5]HH)(CH3)3	C(C[5]C[5,5a]C[5,6])(SiC3)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH){2|C<3>,2|C<4>,4|H<1>}	Si(CC[5]HH)(CH3)3	116.5680	0.000	1	116.5680	0.000	1	116.5680	0.000	1	116.5680	0.000	1	117.6970	2.549	2	117.6970	2.549	2
490	818	880	0:SP3_SP2_SP3	C	C[5]	Si	3:4:1:1:	4:3:4:	4:4:4:4:	C[5]-3:Si-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[5]C[5]2)(SiC3)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CSiHH)	Si(CC[5]HH)(CCCH)3	C(C[5]C[5]2)(SiC3)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CSiHH){1|C<4>,1|N<4>,1|O<1>,2|C<3>}	Si(CC[5]HH)(CCCH)3	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	117.6970	2.549	2	117.6970	2.549	2
490	818	892	0:SP3_SP2_SP3	C	C[5]	N	3:3:4:1:	3:3:4:	4:1:1:1:	C[5]-3:C[5]-3:N-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[5]N[5]2)2(NH3)(H)	C[5](N[5]C[5]H)2(CC[5]HN)	N(CC[5]2H)(H)3	C(C[5]N[5]2)2(NH3)(H)	C[5](N[5]C[5]H)2(CC[5]HN){2|H<1>}	N(CC[5]2H)(H)3	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	112.1938	1.558	13	112.1938	1.558	13
490	818	892	0:SP3_SP2_SP3	C	C[5]	N	3:4:1:1:	2:2:4:	4:1:1:1:	C[5]-3:N-4:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:H-1:H-1:H-1:	C(C[5]N[5]2)(NH3)(H)2	C[5](N[5]N[5])2(CHHN)	N(CC[5]HH)(H)3	C(C[5]N[5]2)(NH3)(H)2	C[5](N[5]N[5])2(CHHN)	N(CC[5]HH)(H)3	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	112.1938	1.558	13	112.1938	1.558	13
490	818	892	0:SP3_SP2_SP3	C	C[5]	N	3:4:1:1:	3:2:4:	4:4:4:1:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:C-4:C-4:H-1:	C(C[5]C[5]N[5])(NCCH)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHN)	N(CC[5]HH)2(CH3)(H)	C(C[5]C[5]N[5])(NCCH)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHN){1|C<4>,1|H<1>}	N(CC[5]HH)2(CH3)(H)	113.1755	0.177	2	113.1755	0.032	2	113.1755	0.032	2	113.1755	0.032	2	112.1938	1.558	13	112.1938	1.558	13
490	818	892	0:SP3_SP2_SP3	C	C[5]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[5]N[5]2)(NH3)(H)2	C[5](N[5]C[5,6a]H)2(CHHN)	N(CC[5]HH)(H)3	C(C[5]N[5]2)(NH3)(H)2	C[5](N[5]C[5,6a]H)2(CHHN){2|C<3>}	N(CC[5]HH)(H)3	112.2500	0.175	2	112.2500	0.031	2	112.2500	0.031	2	112.2500	0.031	2	112.1938	1.558	13	112.1938	1.558	13
490	818	892	0:SP3_SP2_SP3	C	C[5]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[5]N[5]2)(NCHH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN)	N(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN){2|C<3>}	N(CC[5]HH)(CCHH)(H)2	110.6850	0.000	1	110.6850	0.000	1	111.7690	1.657	3	111.7690	1.657	3	112.1938	1.558	13	112.1938	1.558	13
490	818	892	0:SP3_SP2_SP3	C	C[5]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[5]N[5]2)(NCHH)(H)2	C[5](N[5]C[5,6a]H)2(CHHN)	N(CC[5a]HH)(CC[5]HH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	C[5](N[5]C[5,6a]H)2(CHHN){2|C<3>}	N(CC[5a]HH)(CC[5]HH)(H)2	111.4300	0.000	1	111.4300	0.000	1	111.7690	1.657	3	111.7690	1.657	3	112.1938	1.558	13	112.1938	1.558	13
490	818	892	0:SP3_SP2_SP3	C	C[5]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[5]N[5]2)(NCHH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN)	N(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN){2|H<1>}	N(CC[5]HH)(CCHH)(H)2	113.1920	0.000	1	113.1920	0.000	1	111.7690	1.657	3	111.7690	1.657	3	112.1938	1.558	13	112.1938	1.558	13
490	818	892	0:SP3_SP2_SP3	C	C[5]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[5]C[5]2)(NC3)(H)2	C[5](C[5]C[5]H)2(CHHN)	N(CC[5]HH)(CH3)3	C(C[5]C[5]2)(NC3)(H)2	C[5](C[5]C[5]H)2(CHHN){2|H<1>}	N(CC[5]HH)(CH3)3	113.8260	0.000	2	113.8260	0.000	2	113.8260	0.000	2	113.8260	0.000	2	112.1938	1.558	13	112.1938	1.558	13
490	818	892	0:SP3_SP2_SP3	C	C[5]	N	3:4:1:1:	4:2:4:	4:1:1:1:	C[5]-3:N-4:H-1:H-1:	C[5]-4:S[5]-2:C-4:	C-4:H-1:H-1:H-1:	C(C[5]C[5]S[5])(NH3)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN)	N(CC[5]HH)(H)3	C(C[5]C[5]S[5])(NH3)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN){2|H<1>}	N(CC[5]HH)(H)3	110.9840	0.000	1	111.7350	1.128	2	111.7350	1.128	2	111.7350	1.128	2	112.1938	1.558	13	112.1938	1.558	13
490	818	892	0:SP3_SP2_SP3	C	C[5]	N	3:4:1:1:	4:2:4:	4:1:1:1:	C[5]-3:N-4:H-1:H-1:	C[5]-4:S[5]-2:C-4:	C-4:H-1:H-1:H-1:	C(C[5]C[5]S[5])(NH3)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN)	N(CC[5]HH)(H)3	C(C[5]C[5]S[5])(NH3)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN){4|H<1>}	N(CC[5]HH)(H)3	112.4860	0.000	1	111.7350	1.128	2	111.7350	1.128	2	111.7350	1.128	2	112.1938	1.558	13	112.1938	1.558	13
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	2:2:4:	3:4:	C[5]-3:O-2:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:	C(C[5]N[5]O[5])(OC[6a])(H)2	C[5](N[5]N[5])(O[5]C[5])(CHHO)	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	C(C[5]N[5]O[5])(OC[6a])(H)2	C[5](N[5]N[5])(O[5]C[5])(CHHO){1|H<1>,1|S<1>}	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	106.8450	0.000	1	106.8450	0.000	1	106.0755	1.184	2	106.0755	1.184	2	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	2:2:4:	3:4:	C[5]-3:O-2:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:	C(C[5]N[5]O[5])(OC[6a])(H)2	C[5](N[5]N[5])(O[5]C[5])(CHHO)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]O[5])(OC[6a])(H)2	C[5](N[5]N[5])(O[5]C[5])(CHHO){1|H<1>,1|S<1>}	O(C[6a]C[6a]2)(CC[5]HH)	105.3060	0.000	1	105.3060	0.000	1	106.0755	1.184	2	106.0755	1.184	2	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:2:4:	3:4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[5a]-3:C-4:	C(C[5]C[5]N[5])(OC[5a])(H)2	C[5](C[5]C[5]C)(N[5]N[5])(CHHO)	O(C[5a]C[5a]N[5a])(CC[5]HH)	C(C[5]C[5]N[5])(OC[5a])(H)2	C[5](C[5]C[5]C)(N[5]N[5])(CHHO){1|C<3>,1|O<1>}	O(C[5a]C[5a]N[5a])(CC[5]HH)	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	109.6896	5.923	25	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:2:4:	3:4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C-4:	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]H)(N[5]N[5])(CHHO)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]H)(N[5]N[5])(CHHO){1|Re<6>,1|C<4>}	O(C[6a]C[6a]2)(CC[5]HH)	111.3675	1.701	2	111.3675	2.892	2	111.3675	2.892	2	109.6896	5.923	25	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:2:4:	3:4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[6a]-3:C-4:	C(C[5]C[5]S[5])(OC[6a])(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]S[5])(OC[6a])(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|C<3>}	O(C[6a]C[6a]2)(CC[5]HH)	110.4753	2.799	6	110.6969	5.155	14	110.6969	5.155	14	109.6896	5.923	25	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:2:4:	3:4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[6a]-3:C-4:	C(C[5]C[5]S[5])(OC[6a])(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]S[5])(OC[6a])(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|S<1>}	O(C[6a]C[6a]2)(CC[5]HH)	110.8630	1.976	8	110.6969	5.155	14	110.6969	5.155	14	109.6896	5.923	25	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:2:4:	3:4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C[6a]-3:C-4:	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO)	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO){1|H<1>,1|S<1>}	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	106.0700	0.000	1	106.0700	0.000	1	107.4344	1.626	8	109.6896	5.923	25	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:2:4:	3:4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C[6a]-3:C-4:	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO){1|C<4>,1|S<1>}	O(C[6a]C[6a]2)(CC[5]HH)	106.4760	0.000	1	107.7138	2.177	5	107.4344	1.626	8	109.6896	5.923	25	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:2:4:	3:4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C[6a]-3:C-4:	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO){1|H<1>,1|S<1>}	O(C[6a]C[6a]2)(CC[5]HH)	108.0233	1.505	4	107.7138	2.177	5	107.4344	1.626	8	109.6896	5.923	25	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:2:4:	3:4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C[6a]-3:C-4:	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO){1|H<1>,1|S<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[5]HH)	107.4180	0.648	2	107.4180	0.420	2	107.4344	1.626	8	109.6896	5.923	25	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:3:4:	3:4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[6a]-3:C-4:	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHO)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHO){1|C<4>}	O(C[6a]C[6a]2)(CC[5]HH)	105.9200	0.625	5	105.9200	0.390	5	106.8829	9.005	7	107.9568	6.544	13	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:3:4:	3:4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[6a]-3:C-4:	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]H)(N[5]N[5]H)(CHHO)	O(C[6a]C[6,6a]C[6a])(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]H)(N[5]N[5]H)(CHHO){1|C<4>}	O(C[6a]C[6,6a]C[6a])(CC[5]HH)	105.0330	0.000	1	105.0330	0.000	1	106.8829	9.005	7	107.9568	6.544	13	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:3:4:	3:4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[6a]-3:C-4:	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO){1|C<3>}	O(C[6a]C[6a]2)(CC[5]HH)	113.5470	0.000	1	113.5470	0.000	1	106.8829	9.005	7	107.9568	6.544	13	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:3:4:	3:4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C-4:	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO){2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	109.2097	1.184	6	109.2097	1.402	6	109.2097	1.402	6	107.9568	6.544	13	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:3:4:	4:3:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]H)2(CHHO)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]H)2(CHHO){2|C<3>}	O(CC[5]HH)(CC[6a]O)	112.0570	0.000	1	112.0570	0.000	1	112.0570	0.000	1	108.1733	11.565	3	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:3:4:	4:3:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:C-3:	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CHHO)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CHHO){1|C<3>,3|H<1>}	O(CC[5]HH)(CC[6a]O)	105.7290	0.000	1	105.7290	0.000	1	105.7290	0.000	1	108.1733	11.565	3	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:3:4:	4:3:	C[5]-3:O-2:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C-4:C-3:	C(C[5]N[5,6]C[5])(OC)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(CHHO)	O(CC[5]HH)(CCO)	C(C[5]N[5,6]C[5])(OC)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(CHHO){2|C<3>,2|O<1>,3|H<1>}	O(CC[5]HH)(CCO)	106.7340	0.000	1	106.7340	0.000	1	106.7340	0.000	1	108.1733	11.565	3	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	3:4:4:	4:3:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:C-3:	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO)	O(CC[5]HH)(COO)	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO){4|C<3>}	O(CC[5]HH)(COO)	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	4:3:4:	4:3:	C[5]-3:O-2:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C-4:C-3:	C(C[5]C[3,5]C[5])(OC)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(CHHO)	O(CC[5]HH)(CCO)	C(C[5]C[3,5]C[5])(OC)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(CHHO){1|C<3>,1|O<2>,3|H<1>}	O(CC[5]HH)(CCO)	104.6340	0.000	1	104.6340	0.000	1	104.6340	0.000	1	108.7849	7.202	7	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	4:3:4:	4:3:	C[5]-3:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:C-3:	C(C[5]C[5,5]C[5])(OC)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(CHHO)	O(CC[5]HH)(CCO)	C(C[5]C[5,5]C[5])(OC)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(CHHO){1|O<2>,2|C<4>,3|H<1>}	O(CC[5]HH)(CCO)	111.4190	1.539	2	111.4190	2.367	2	111.4190	2.367	2	108.7849	7.202	7	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	4:3:4:	4:3:	C[5]-3:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:C-3:	C(C[5]C[5,6]C[5])(OC)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO)	O(CC[5]HH)(CCO)	C(C[5]C[5,6]C[5])(OC)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO){1|C<3>,3|H<1>,3|O<2>}	O(CC[5]HH)(CCO)	110.8250	0.000	1	110.8250	0.000	1	110.8250	0.000	1	108.7849	7.202	7	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	4:3:4:	4:3:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]H)(CHHO)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]H)(CHHO){3|C<4>}	O(CC[5]HH)(CC[6a]O)	106.5460	0.000	1	106.5460	0.000	1	107.3030	1.146	2	108.7849	7.202	7	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	4:3:4:	4:3:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO){2|H<1>,2|O<2>}	O(CC[5]HH)(CC[6a]O)	108.0600	0.000	1	108.0600	0.000	1	107.3030	1.146	2	108.7849	7.202	7	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:1:1:	4:3:4:	4:3:	C[5]-3:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:C-3:	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CHHO)	O(CC[5]HH)(CCO)	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CHHO){1|H<1>,3|C<3>}	O(CC[5]HH)(CCO)	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	108.7849	7.202	7	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:2:4:1:	2:2:4:	3:4:	C[5]-3:O-2:C-4:H-1:	N[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	C[5](N[5]N[5])(O[5]C[5])(CCHO)	O(C[6a]C[6a]2)(CC[5]CH)	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	C[5](N[5]N[5])(O[5]C[5])(CCHO){1|H<1>,1|S<1>}	O(C[6a]C[6a]2)(CC[5]CH)	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO)	O(CC[6a]C[5]H)(CCO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO){1|H<1>,1|O<2>}	O(CC[6a]C[5]H)(CCO)	103.8980	0.000	1	103.8980	0.000	1	103.8980	0.000	1	103.8980	0.000	1	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:4:2:1:	3:3:4:	4:3:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:	C(C[5]C[5]2)(CCHH)(OC)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)	O(CC[5]CH)(CCO)	C(C[5]C[5]2)(CCHH)(OC)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	O(CC[5]CH)(CCO)	111.8180	0.792	2	111.8180	0.627	2	111.8180	0.627	2	111.8180	0.627	2	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	3:4:2:1:	4:3:4:	4:3:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	O(CC[5]CH)(CCO)	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	O(CC[5]CH)(CCO)	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP2	C	C[5]	O	4:3:2:1:	4:3:4:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO)	O(CC[5]2H)(CCO)	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO){1|O<1>}	O(CC[5]2H)(CCO)	107.4050	0.000	1	107.4050	0.000	1	107.4050	0.000	1	107.4050	0.000	1	108.9037	6.809	57	108.9037	6.809	57
490	818	893	0:SP3_SP2_SP3	C	C[5,6]	O	3:3:3:2:	4:3:4:	4:1:	C[5,6]-3:C[6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O)	O(CC[5,6]C[6a]2)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O){1|C<4>,2|C<3>,2|H<1>}	O(CC[5,6]C[6a]2)(H)	108.4580	0.000	1	108.4580	0.000	1	108.4580	0.000	1	108.4580	0.000	1	109.4365	0.480	4	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5,6]-3:C-4:O-2:H-1:	P[5,5,6]-3:C[5,6]-3:C-4:	C-4:H-1:	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a])(CCHO)	O(CC[5,6]CH)(H)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a])(CCHO){1|C<4>,2|H<1>,4|C<3>}	O(CC[5,6]CH)(H)	109.6105	0.158	2	109.6105	0.025	2	109.6105	0.025	2	109.6105	0.025	2	109.4365	0.480	4	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5,6]	O	3:4:2:1:	4:3:4:	4:1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO)	O(CC[5,6]C[5]H)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO){1|C<4>,1|O<2>,4|H<1>}	O(CC[5,6]C[5]H)(H)	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	109.4365	0.480	4	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	2:2:4:	4:4:	C[5]-3:O-2:H-1:H-1:	C[5]-2:N[5]-2:C-4:	C[5]-4:C-4:	C(C[5]C[5]N[5])(OC[5])(H)2	C[5](C[5]N[5])(N[5]N[5])(CHHO)	O(C[5]C[5,5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(OC[5])(H)2	C[5](C[5]N[5])(N[5]N[5])(CHHO){1|C<4>}	O(C[5]C[5,5]C[5]H)(CC[5]HH)	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:2:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:H-1:	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]Se[5]H)(N[5]C[5])(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]Se[5]H)(N[5]C[5])(CHHO){1|C<3>}	O(CC[5]HH)(H)	111.0620	0.000	1	111.0620	0.000	1	111.0620	0.000	1	109.1822	5.866	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:2:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:H-1:	C(C[5]C[5]S[5])(OH)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]S[5])(OH)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|C<3>}	O(CC[5]HH)(H)	108.7200	1.944	8	108.7200	3.778	8	108.7200	3.778	8	109.1822	5.866	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:2:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:H-1:	C(C[5]Se[5]C[5])(OH)(H)2	C[5](C[5]C[5]H)(Se[5]C[5])(CHHO)	O(CC[5]HH)(H)	C(C[5]Se[5]C[5])(OH)(H)2	C[5](C[5]C[5]H)(Se[5]C[5])(CHHO){1|N<3>,2|H<1>}	O(CC[5]HH)(H)	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	109.1822	5.866	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:2:4:	4:1:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:H-1:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO)	O(CC[5]HH)(H)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO){1|Ni<6>,1|C<4>}	O(CC[5]HH)(H)	109.0820	5.361	2	109.0820	28.743	2	109.0820	28.743	2	109.1822	5.866	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:2:4:	4:3:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:N-3:	C(C[5]N[5]2)(ON)(H)2	C[5](N[5]C[5]H)(N[5]N[5])(CHHO)	O(CC[5]HH)(NOO)	C(C[5]N[5]2)(ON)(H)2	C[5](N[5]C[5]H)(N[5]N[5])(CHHO){1|H<1>,1|N<2>}	O(CC[5]HH)(NOO)	105.3040	0.000	1	105.3040	0.000	1	105.3040	0.000	1	105.3040	0.000	1	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:2:4:	4:4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:C-4:	C(C[5]N[5]2)(OC)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO)	O(CC[5]HH)(CH3)	C(C[5]N[5]2)(OC)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO){1|Cu<4>,3|C<3>}	O(CC[5]HH)(CH3)	113.0210	0.000	1	113.0210	0.000	1	113.0210	0.000	1	110.4390	4.947	5	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:2:4:	4:4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:	P-4:C-4:	C(C[5]N[5]O[5])(OP)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHO)	O(PC[6a]2Co)(CC[5]HH)	C(C[5]N[5]O[5])(OP)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	O(PC[6a]2Co)(CC[5]HH)	112.2270	0.000	1	112.2270	0.000	1	109.8133	5.725	3	110.4390	4.947	5	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:2:4:	4:4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:	P-4:C-4:	C(C[5]N[5]O[5])(OP)(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHO)	O(PC[6a]2Pd)(CC[5]HH)	C(C[5]N[5]O[5])(OP)(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	O(PC[6a]2Pd)(CC[5]HH)	108.6065	1.647	2	108.6065	2.712	2	109.8133	5.725	3	110.4390	4.947	5	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:2:4:	4:4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:	P[6]-4:C-4:	C(C[5]N[5]O[5])(OP[6])(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHO)	O(P[6]C[6,6a]O[6]Pd)(CC[5]HH)	C(C[5]N[5]O[5])(OP[6])(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	O(P[6]C[6,6a]O[6]Pd)(CC[5]HH)	109.7340	0.000	1	109.7340	0.000	1	109.7340	0.000	1	110.4390	4.947	5	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[5]HH)(H)	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	110.7690	2.049	17	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CHHO){2|H<1>}	O(CC[5]HH)(H)	112.2310	0.000	1	112.2310	0.000	1	111.9293	0.324	3	110.7690	2.049	17	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]Ni)(N[5]N[5]C)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]Ni)(N[5]N[5]C)(CHHO){1|C<3>}	O(CC[5]HH)(H)	111.2730	0.000	1	111.2730	0.000	1	111.9293	0.324	3	110.7690	2.049	17	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO){1|C<3>}	O(CC[5]HH)(H)	112.2840	0.000	1	112.2840	0.000	1	111.9293	0.324	3	110.7690	2.049	17	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5])(OH)(H)2	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]N[5])(OH)(H)2	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHO){1|C<3>,1|H<1>}	O(CC[5]HH)(H)	110.4597	0.991	4	110.4597	0.982	4	110.4597	0.982	4	110.7690	2.049	17	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5,6a]C)2(CHHO)	O(CC[5]HH)(H)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5,6a]C)2(CHHO){2|C<3>}	O(CC[5]HH)(H)	111.7890	0.000	1	111.7890	0.000	1	110.6103	2.985	9	110.7690	2.049	17	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5,6a]H)2(CHHO)	O(CC[5]HH)(H)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5,6a]H)2(CHHO){2|C<3>}	O(CC[5]HH)(H)	110.1555	1.493	2	110.1555	2.228	2	110.6103	2.985	9	110.7690	2.049	17	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5]C)2(CHHO)	O(CC[5]HH)(H)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5]C)2(CHHO){2|H<1>}	O(CC[5]HH)(H)	111.7195	0.073	2	111.7195	0.005	2	110.6103	2.985	9	110.7690	2.049	17	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO)	O(CC[5]HH)(H)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO){2|H<1>}	O(CC[5]HH)(H)	110.8265	2.705	2	110.8265	7.315	2	110.6103	2.985	9	110.7690	2.049	17	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]N[5]Ni)(N[5]C[5]N)(CHHO)	O(CC[5]HH)(H)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]N[5]Ni)(N[5]C[5]N)(CHHO){1|C<4>}	O(CC[5]HH)(H)	110.8400	0.000	1	109.1505	5.709	2	110.6103	2.985	9	110.7690	2.049	17	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]N[5]Ni)(N[5]C[5]N)(CHHO)	O(CC[5]HH)(H)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]N[5]Ni)(N[5]C[5]N)(CHHO){1|Ni<6>,1|C<4>}	O(CC[5]HH)(H)	107.4610	0.000	1	109.1505	5.709	2	110.6103	2.985	9	110.7690	2.049	17	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:C-4:	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CHHO)	O(CC[5]HH)2	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CHHO){1|C<4>}	O(CC[5]HH)2	113.0512	2.735	4	113.0512	7.481	4	113.3383	5.195	6	111.2484	9.445	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:C-4:	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CHHO)	O(CC[5]HH)2	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CHHO){1|C<3>}	O(CC[5]HH)2	113.9125	1.595	2	113.9125	2.543	2	113.3383	5.195	6	111.2484	9.445	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:C-4:	C(C[5]C[5]N[5])(OC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]Rh)(CHHO)	O(CC[5]HH)2	C(C[5]C[5]N[5])(OC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]Rh)(CHHO){3|C<3>}	O(CC[5]HH)2	108.5662	0.497	4	108.5662	0.247	4	108.5662	0.247	4	111.2484	9.445	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:3:4:	4:4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:C-4:	C(C[5]N[5]2)(OC)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO)	O(CC[5]HH)(CH3)	C(C[5]N[5]2)(OC)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO){2|H<1>}	O(CC[5]HH)(CH3)	110.3430	4.534	2	110.3430	20.557	2	110.3430	20.557	2	111.2484	9.445	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:4:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:H-1:	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO){3|C<3>,3|H<1>}	O(CC[5]HH)(H)	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	3:4:4:	4:4:	C[5]-3:O-2:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:C-4:	C(C[5]C[5,6]C[5])(OC)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)	O(CC[5]HH)(CH3)	C(C[5]C[5,6]C[5])(OC)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(CC[5]HH)(CH3)	111.2850	0.000	1	111.2850	0.000	1	111.2850	0.000	1	111.2850	0.000	1	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	4:2:4:	4:4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:	Si-4:C-4:	C(C[5]C[5]O[5])(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5])(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO){1|N<3>,1|O<2>,2|H<1>}	O(SiC[6a]2C)(CC[5]HH)	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	4:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO){1|C<3>,2|O<2>,4|H<1>}	O(CC[5]HH)(H)	112.5640	0.290	2	112.5640	0.084	2	112.3363	0.198	3	111.7166	2.186	9	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	4:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO){1|Br<1>,1|H<1>,2|C<3>}	O(CC[5]HH)(H)	111.8810	0.000	1	111.8810	0.000	1	112.3363	0.198	3	111.7166	2.186	9	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	4:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(CC[5]HH)(H)	112.4030	0.247	2	112.4030	0.061	2	110.7927	3.611	4	111.7166	2.186	9	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	4:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO){1|O<1>,2|C<4>}	O(CC[5]HH)(H)	108.7350	0.000	1	108.7350	0.000	1	110.7927	3.611	4	111.7166	2.186	9	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	4:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO){1|H<1>,1|O<1>}	O(CC[5]HH)(H)	109.6300	0.000	1	109.6300	0.000	1	110.7927	3.611	4	111.7166	2.186	9	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:1:1:	4:3:4:	4:1:	C[5]-3:O-2:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]S[5])(OH)(H)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]S[5])(OH)(H)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CHHO){2|C<3>}	O(CC[5]HH)(H)	112.6345	0.094	2	112.6345	0.009	2	112.6345	0.009	2	111.7166	2.186	9	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:2:1:	3:3:4:	4:1:	C[5]-3:O-2:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(OH)2(H)	C[5](N[5]C[5,6a]H)2(CHOO)	O(CC[5]HO)(H)	C(C[5]N[5]2)(OH)2(H)	C[5](N[5]C[5,6a]H)2(CHOO){2|C<3>}	O(CC[5]HO)(H)	106.8450	1.638	2	106.8450	2.682	2	106.8450	2.682	2	106.8450	2.682	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:2:4:4:	3:2:4:	4:4:	C[5]-3:O-2:C-4:C-4:	N[5]-3:O[5]-2:C-4:	P[6]-4:C-4:	C(C[5]N[5]O[5])(OP[6])(CH3)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO)	O(P[6]C[6,6a]O[6]Pd)(CC[5]CC)	C(C[5]N[5]O[5])(OP[6])(CH3)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	O(P[6]C[6,6a]O[6]Pd)(CC[5]CC)	106.6118	1.374	6	106.6118	1.887	6	106.6118	1.887	6	106.6118	1.887	6	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:2:1:	3:2:4:	4:4:	C[5]-3:C[6a]-3:O-2:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO)	O(CC[6a]C[5]H)(CCCH)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO){1|C<3>,1|I<1>}	O(CC[6a]C[5]H)(CCCH)	105.3480	0.000	1	105.3480	0.000	1	105.7600	0.339	2	105.7600	0.339	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:2:1:	3:2:4:	4:4:	C[5]-3:C[6a]-3:O-2:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO)	O(CC[6a]C[5]H)(CH3)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO){1|C<3>,1|I<1>}	O(CC[6a]C[5]H)(CH3)	106.1720	0.000	1	106.1720	0.000	1	105.7600	0.339	2	105.7600	0.339	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:2:1:	3:3:4:	4:1:	C[5]-3:C[6a]-3:O-2:H-1:	N[5,5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5,5]N[5])(C[6a]C[6a]2)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(CC[6a]HO)	O(CC[6a]C[5]H)(H)	C(C[5]N[5,5]N[5])(C[6a]C[6a]2)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(CC[6a]HO){2|C<3>,2|C<4>,2|H<1>}	O(CC[6a]C[5]H)(H)	109.9553	0.370	3	109.9553	0.137	3	109.9553	0.137	3	109.2445	3.391	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:2:1:	3:3:4:	4:1:	C[5]-3:N[5]-3:O-2:H-1:	N[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CN[5]HO)	O(CC[5]N[5]H)(H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CN[5]HO){2|C<4>}	O(CC[5]N[5]H)(H)	110.1175	0.766	2	110.1175	0.586	2	110.1175	0.586	2	109.2445	3.391	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	O(CC[6a]C[5]H)(H)	108.9000	2.732	2	108.9000	7.465	2	108.6904	5.208	7	109.2445	3.391	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO){2|C<3>}	O(CC[6a]C[5]H)(H)	112.2810	0.000	1	112.2810	0.000	1	108.6904	5.208	7	109.2445	3.391	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	O(CC[6a]C[5]H)(H)	107.0287	0.885	3	107.0287	0.784	3	108.6904	5.208	7	109.2445	3.391	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	O(CC[6a]C[5]H)(H)	109.6660	0.000	1	109.6660	0.000	1	108.6904	5.208	7	109.2445	3.391	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:2:1:	4:3:4:	4:1:	C[5]-3:C-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5])(COO)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CCHO)	O(CC[5]CH)(H)	C(C[5]C[5]N[5])(COO)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CCHO){4|C<3>}	O(CC[5]CH)(H)	106.7870	0.000	1	106.7870	0.000	1	106.7870	0.000	1	108.0685	3.284	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:2:1:	4:3:4:	4:1:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO){1|O<2>,3|H<1>}	O(CC[6a]C[5]H)(H)	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	108.0685	3.284	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:2:1:	4:3:4:	4:4:	C[5]-3:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO)	O(CC[6a]C[5]H)(CC[6a]HH)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CC[6a]HH)	114.4720	0.000	1	114.4720	0.000	1	111.5125	17.517	2	111.5125	17.517	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:2:1:	4:3:4:	4:4:	C[5]-3:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO)	O(CC[6a]C[5]H)(CC[6a]HH)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO){3|C<3>,3|H<1>}	O(CC[6a]C[5]H)(CC[6a]HH)	108.5530	0.000	1	108.5530	0.000	1	111.5125	17.517	2	111.5125	17.517	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	3:3:4:	4:1:	C[5]-3:C-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO)	O(CC[5]CC)(H)	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO){1|H<1>,2|C<3>}	O(CC[5]CC)(H)	108.1270	0.000	1	108.1270	0.000	1	108.1270	0.000	1	110.2551	14.433	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	3:3:4:	4:1:	C[5]-3:C[5]-3:C[5]-3:O-2:	N[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5])3(OH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CC[5]2O)	O(CC[5]3)(H)	C(C[5]C[5]N[5])3(OH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CC[5]2O){2|C<4>}	O(CC[5]3)(H)	109.4510	2.404	3	109.4510	5.781	3	109.4510	5.781	3	110.2551	14.433	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	3:3:4:	4:1:	C[5]-3:C[5]-3:C[5]-3:O-2:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)3(OH)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]2O)	O(CC[5]3)(H)	C(C[5]N[5]2)3(OH)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]2O){2|H<1>}	O(CC[5]3)(H)	113.1840	1.573	3	113.1840	2.474	3	112.8038	1.842	6	110.2551	14.433	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	3:3:4:	4:1:	C[5]-3:C[5]-3:C[5]-3:O-2:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)3(OH)	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CC[5]2O)	O(CC[5]3)(H)	C(C[5]N[5]2)3(OH)	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CC[5]2O){2|H<1>}	O(CC[5]3)(H)	112.4237	1.303	3	112.4237	1.699	3	112.8038	1.842	6	110.2551	14.433	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-3:C-3:O-2:	C[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO)	O(CC[6a]C[5]C)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	110.2551	14.433	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(C[5]C[5]2)(OH)	C[5](C[5]C[5]H)(C[5]P[5]H)(CC[6a]2O)	O(CC[6a]2C[5])(H)	C(C[6a]C[6a]2)2(C[5]C[5]2)(OH)	C[5](C[5]C[5]H)(C[5]P[5]H)(CC[6a]2O){1|H<1>,2|C<4>}	O(CC[6a]2C[5])(H)	100.7110	0.000	1	100.7110	0.000	1	100.7110	0.000	1	110.2551	14.433	12	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	3:3:4:	4:4:	C[5]-3:C[5]-3:C[5]-3:O-2:	N[5]-3:N[5]-3:C-4:	C-4:C-4:	C(C[5]N[5]2)3(OC)	C[5](N[5]C[5]Re)(N[5]C[5]C)(CC[5]2O)	O(CC[5]3)(CH3)	C(C[5]N[5]2)3(OC)	C[5](N[5]C[5]Re)(N[5]C[5]C)(CC[5]2O){2|H<1>}	O(CC[5]3)(CH3)	112.4220	0.777	3	112.4220	0.603	3	112.4220	0.603	3	112.4220	0.603	3	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	3:4:2:	4:1:	C[5]-3:C[6a]-3:C[6a]-3:O-2:	N[5]-3:C-4:O[5]-2:	C-4:H-1:	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(OH)	C[5](N[5]C[6]O[5])(CC[6a]2O)(O[5]B[5])	O(CC[6a]2C[5])(H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(OH)	C[5](N[5]C[6]O[5])(CC[6a]2O)(O[5]B[5]){1|H<1>,2|C<3>,2|C<4>}	O(CC[6a]2C[5])(H)	107.4370	0.000	1	107.4370	0.000	1	107.4370	0.000	1	107.4370	0.000	1	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	3:4:2:	4:4:	C[5]-3:C[5]-3:C[6a]-3:O-2:	N[5]-3:C-4:S[5]-2:	C-4:C-4:	C(C[5]N[5]S[5])2(C[6a]C[6a]2)(OC)	C[5](N[5]C[5,6a]Bi)(CC[6a]C[5]O)(S[5]C[5,6a])	O(CC[6a]C[5]2)(CH3)	C(C[5]N[5]S[5])2(C[6a]C[6a]2)(OC)	C[5](N[5]C[5,6a]Bi)(CC[6a]C[5]O)(S[5]C[5,6a]){2|C<3>}	O(CC[6a]C[5]2)(CH3)	107.0390	2.520	6	107.0390	6.348	6	107.0390	6.348	6	107.0390	6.348	6	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OH)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	O(CC[6a]C[5]2)(H)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OH)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|H<1>}	O(CC[6a]C[5]2)(H)	109.4250	0.510	4	109.4250	0.260	4	109.4250	0.260	4	109.4250	0.260	4	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	4:3:3:	4:4:	C[5a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:C-4:	C(C[5a]N[5a]2)(C[5]N[5]2)2(OC)	C[5](CC[5a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	O(CC[5a]C[5]2)(CH3)	C(C[5a]N[5a]2)(C[5]N[5]2)2(OC)	C[5](CC[5a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	O(CC[5a]C[5]2)(CH3)	109.2325	0.647	2	109.2325	0.419	2	109.2325	0.419	2	108.9809	0.601	30	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	4:3:3:	4:4:	C[6]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:C-4:	C(C[6]C[6]N[6])(C[5]N[5]2)2(OC)	C[5](CC[5]C[6]O)(N[5]C[5]Cu)(N[5]C[5]C)	O(CC[5]2C[6])(CH3)	C(C[6]C[6]N[6])(C[5]N[5]2)2(OC)	C[5](CC[5]C[6]O)(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>}	O(CC[5]2C[6])(CH3)	109.1980	0.000	1	108.7065	0.483	2	108.7065	0.483	2	108.9809	0.601	30	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	4:3:3:	4:4:	C[6]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:C-4:	C(C[6]C[6]N[6])(C[5]N[5]2)2(OC)	C[5](CC[5]C[6]O)(N[5]C[5]Cu)(N[5]C[5]C)	O(CC[5]2C[6])(CH3)	C(C[6]C[6]N[6])(C[5]N[5]2)2(OC)	C[5](CC[5]C[6]O)(N[5]C[5]Cu)(N[5]C[5]C){2|H<1>}	O(CC[5]2C[6])(CH3)	108.2150	0.000	1	108.7065	0.483	2	108.7065	0.483	2	108.9809	0.601	30	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Co)(N[5]C[5]C)	O(CC[6a]C[5]2)(CH3)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Co)(N[5]C[5]C){2|H<1>}	O(CC[6a]C[5]2)(CH3)	108.7163	0.387	4	108.7163	0.150	4	108.9827	0.650	26	108.9809	0.601	30	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	O(CC[6a]C[5]2)(CH3)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	O(CC[6a]C[5]2)(CH3)	108.7932	0.631	18	108.7932	0.398	18	108.9827	0.650	26	108.9809	0.601	30	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:C-4:	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	O(CC[6a]C[5]2)(CH3)	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	O(CC[6a]C[5]2)(CH3)	109.5860	0.000	1	110.1017	1.027	4	108.9827	0.650	26	108.9809	0.601	30	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:C-4:	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	O(CC[6a]C[5]2)(CH3)	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>}	O(CC[6a]C[5]2)(CH3)	110.9285	0.392	2	110.1017	1.027	4	108.9827	0.650	26	108.9809	0.601	30	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C-4:N[5]-3:N[5]-3:	C-4:C-4:	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	O(CC[6a]C[5]2)(CH3)	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|H<1>}	O(CC[6a]C[5]2)(CH3)	108.9640	0.000	1	110.1017	1.027	4	108.9827	0.650	26	108.9809	0.601	30	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:4:2:	3:2:4:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-3:S[5]-2:C-4:	C-4:H-1:	C(C[5]C[5]S[5])2(CH3)(OH)	C[5](C[5]S[5]C)(S[5]C[5])(CC[5]CO)	O(CC[5]2C)(H)	C(C[5]C[5]S[5])2(CH3)(OH)	C[5](C[5]S[5]C)(S[5]C[5])(CC[5]CO){1|C<3>}	O(CC[5]2C)(H)	107.5285	0.224	2	107.5285	0.050	2	107.5285	0.050	2	107.5285	0.050	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:4:2:	3:3:4:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)2(CCCS)(OH)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO)	O(CC[5]2C)(H)	C(C[5]N[5]2)2(CCCS)(OH)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO){2|C<3>}	O(CC[5]2C)(H)	110.2830	0.345	2	110.2830	0.119	2	110.2830	0.119	2	110.4550	0.148	3	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:4:2:	3:3:4:	4:1:	C[5]-3:C[6a]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CF3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO)	O(CC[6a]C[5]C)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CF3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO){1|H<1>,2|C<3>}	O(CC[6a]C[5]C)(H)	110.7990	0.000	1	110.7990	0.000	1	110.7990	0.000	1	110.4550	0.148	3	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:4:2:	3:3:4:	4:4:	C[5]-3:C[5]-3:C-4:O-2:	N[5]-3:N[5]-3:C-4:	C-4:C-4:	C(C[5]N[5]2)2(CCCS)(OC)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO)	O(CC[5]2C)(CH3)	C(C[5]N[5]2)2(CCCS)(OC)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO){2|C<3>}	O(CC[5]2C)(CH3)	110.3885	0.018	2	110.3885	0.000	2	109.6120	0.469	6	109.6120	0.469	6	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:4:2:	3:3:4:	4:4:	C[5]-3:C[5]-3:C-4:O-2:	N[5]-3:N[5]-3:C-4:	C-4:C-4:	C(C[5]N[5]2)2(CCCS)(OC)	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CC[5]CO)	O(CC[5]2C)(CH3)	C(C[5]N[5]2)2(CCCS)(OC)	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CC[5]CO){2|C<3>}	O(CC[5]2C)(CH3)	108.9950	0.045	2	108.9950	0.002	2	109.6120	0.469	6	109.6120	0.469	6	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:3:4:2:	3:3:4:	4:4:	C[5]-3:C[5]-3:C-4:O-2:	N[5]-3:N[5]-3:C-4:	C-4:C-4:	C(C[5]N[5]2)2(CH3)(OC)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CO)	O(CC[5]2C)(CH3)	C(C[5]N[5]2)2(CH3)(OC)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CO){2|C<3>}	O(CC[5]2C)(CH3)	109.4525	0.571	2	109.4525	0.326	2	109.6120	0.469	6	109.6120	0.469	6	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:2:4:	4:1:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-2:C-4:	C-4:H-1:	C(C[5]N[5]2)(CCHO)(OH)(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCHO)	O(CC[5]CH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCHO){1|H<1>,1|S<1>}	O(CC[5]CH)(H)	109.6650	0.000	1	109.6650	0.000	1	109.6650	0.000	1	108.2545	3.979	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:2:4:	4:1:	C[5]-3:C-4:O-2:H-1:	N[5]-3:S[5]-2:C-4:	C-4:H-1:	C(C[5]N[5]S[5])(CCHH)(OH)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)	O(CC[5]CH)(H)	C(C[5]N[5]S[5])(CCHH)(OH)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO){2|C<4>}	O(CC[5]CH)(H)	106.8440	0.000	1	106.8440	0.000	1	106.8440	0.000	1	108.2545	3.979	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:2:4:	4:4:	C[5]-3:C-4:O-2:H-1:	N[5]-3:O[5]-2:C-4:	P-4:C-4:	C(C[5]N[5]O[5])(CC3)(OP)(H)	C[5](N[5]C[5]Ir)(O[5]C[5])(CCHO)	O(PC[6a]2Ir)(CC[5]CH)	C(C[5]N[5]O[5])(CC3)(OP)(H)	C[5](N[5]C[5]Ir)(O[5]C[5])(CCHO){1|C<4>,3|H<1>}	O(PC[6a]2Ir)(CC[5]CH)	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:3:4:	4:1:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]2)(CCHH)(OH)(H)	C[5](C[5]C[3,5]C[5])(C[5]O[5]O)(CCHO)	O(CC[5]CH)(H)	C(C[5]C[5]2)(CCHH)(OH)(H)	C[5](C[5]C[3,5]C[5])(C[5]O[5]O)(CCHO){1|O<2>,2|C<4>,2|H<1>}	O(CC[5]CH)(H)	109.8930	0.000	1	109.8930	0.000	1	110.0855	0.074	2	109.7147	3.086	13	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:3:4:	4:1:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]2)(CH3)(OH)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]O)(CCHO)	O(CC[5]CH)(H)	C(C[5]C[5]2)(CH3)(OH)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]O)(CCHO){1|C<3>,1|C<4>}	O(CC[5]CH)(H)	110.2780	0.000	1	110.2780	0.000	1	110.0855	0.074	2	109.7147	3.086	13	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:3:4:	4:1:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(CCHH)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO)	O(CC[5]CH)(H)	C(C[5]N[5]2)(CCHH)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	O(CC[5]CH)(H)	111.5510	0.000	1	111.5510	0.000	1	109.6473	3.663	11	109.7147	3.086	13	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:3:4:	4:1:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(CCHO)(OH)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHO)	O(CC[5]CH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHO){2|C<3>}	O(CC[5]CH)(H)	110.2450	0.000	1	110.2450	0.000	1	109.6473	3.663	11	109.7147	3.086	13	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:3:4:	4:1:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(CCHO)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO)	O(CC[5]CH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	O(CC[5]CH)(H)	109.5720	0.000	1	109.5720	0.000	1	109.6473	3.663	11	109.7147	3.086	13	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:3:4:	4:1:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(CC[5]HH)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO)	O(CC[5]CH)(H)	C(C[5]N[5]2)(CC[5]HH)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	O(CC[5]CH)(H)	113.5000	0.000	1	113.5000	0.000	1	109.6473	3.663	11	109.7147	3.086	13	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:3:4:	4:1:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO)	O(CC[5]CH)(H)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	O(CC[5]CH)(H)	109.0130	1.090	4	109.0130	1.189	4	109.6473	3.663	11	109.7147	3.086	13	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:3:4:	4:1:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHO)	O(CC[5]CH)(H)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHO){2|C<3>}	O(CC[5]CH)(H)	108.8770	0.000	1	108.8770	0.000	1	109.6473	3.663	11	109.7147	3.086	13	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:3:4:	4:1:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]N[5]2)(CH3)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO)	O(CC[5]CH)(H)	C(C[5]N[5]2)(CH3)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	O(CC[5]CH)(H)	108.1615	2.760	2	108.1615	7.617	2	109.6473	3.663	11	109.7147	3.086	13	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	4:2:4:	4:4:	C[5]-3:C[5]-4:O-2:H-1:	C[5,5,6]-4:N[5]-2:C-4:	C-4:C-4:	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CC[5]HO)	O(CC[6a]HH)(CC[5]2H)	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CC[5]HO){1|N<3>,2|C<4>,2|H<1>}	O(CC[6a]HH)(CC[5]2H)	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	4:3:4:	4:1:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	O(CC[5]CH)(H)	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	O(CC[5]CH)(H)	110.9760	0.268	3	110.9760	0.072	3	111.1520	0.172	4	111.0976	0.144	5	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	4:3:4:	4:1:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO)	O(CC[5]CH)(H)	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO){1|O<2>,3|H<1>}	O(CC[5]CH)(H)	111.6800	0.000	1	111.6800	0.000	1	111.1520	0.172	4	111.0976	0.144	5	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	4:3:4:	4:1:	C[5]-3:C-4:O-2:H-1:	P[5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]P[5])(CH3)(OH)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CCHO)	O(CC[5]CH)(H)	C(C[5]C[5]P[5])(CH3)(OH)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CCHO){6|C<3>}	O(CC[5]CH)(H)	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	111.0976	0.144	5	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	4:3:4:	4:4:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-4:	C(C[5]C[5]2)(CC3)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO)	O(CC[5]CH)(CCHH)	C(C[5]C[5]2)(CC3)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO){2|C<3>}	O(CC[5]CH)(CCHH)	111.8080	0.000	1	111.8080	0.000	1	110.7963	0.983	3	110.7963	0.983	3	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	4:3:4:	4:4:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-4:	C(C[5]C[5]2)(CC3)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO)	O(CC[5]CH)(CH3)	C(C[5]C[5]2)(CC3)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO){2|C<3>}	O(CC[5]CH)(CH3)	110.7550	0.000	1	110.7550	0.000	1	110.7963	0.983	3	110.7963	0.983	3	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	4:3:4:	4:4:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-4:	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHO)	O(CC[5]CH)(CH3)	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHO){4|H<1>}	O(CC[5]CH)(CH3)	109.8260	0.000	1	109.8260	0.000	1	110.7963	0.983	3	110.7963	0.983	3	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:4:2:	2:2:4:	4:3:	C[5]-3:C-4:C-4:O-2:	N[5]-2:O[5]-2:C-4:	C-4:P-3:	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5])(O[5]C[5])(CCCO)	O(CC[5]CC)(PC[6a]O)	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5])(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	O(CC[5]CC)(PC[6a]O)	108.7305	1.801	2	108.7305	3.244	2	108.7305	3.244	2	108.7305	3.244	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:4:2:	2:2:4:	4:4:	C[5]-3:C-4:C-4:O-2:	N[5]-2:O[5]-2:C-4:	P-4:C-4:	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5])(O[5]C[5])(CCCO)	O(PC[6a]PdO)(CC[5]CC)	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5])(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	O(PC[6a]PdO)(CC[5]CC)	106.8930	4.466	2	106.8930	19.946	2	106.8930	19.946	2	106.8930	19.946	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:4:2:	3:2:4:	4:1:	C[5]-3:C-4:C-4:O-2:	C[5,5]-3:O[5]-2:C-4:	C-4:H-1:	C(C[5]C[5,5]O[5])(CH3)2(OH)	C[5](C[5,5]C[5,6a]C[5,5])(O[5]C[5])(CCCO)	O(CC[5]CC)(H)	C(C[5]C[5,5]O[5])(CH3)2(OH)	C[5](C[5,5]C[5,6a]C[5,5])(O[5]C[5])(CCCO){2|C<4>,3|C<3>}	O(CC[5]CC)(H)	105.4950	0.000	1	105.4950	0.000	1	105.4950	0.000	1	105.4950	0.000	1	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:4:2:	3:2:4:	4:4:	C[5]-3:C-4:C-4:O-2:	N[5]-3:O[5]-2:C-4:	P-4:C-4:	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5]Co)(O[5]C[5])(CCCO)	O(PC[6a]2Co)(CC[5]CC)	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5]Co)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	O(PC[6a]2Co)(CC[5]CC)	109.5560	0.000	1	109.5560	0.000	1	109.6479	4.135	8	109.6479	4.135	8	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:4:2:	3:2:4:	4:4:	C[5]-3:C-4:C-4:O-2:	N[5]-3:O[5]-2:C-4:	P-4:C-4:	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5]Ni)(O[5]C[5])(CCCO)	O(PC[6a]2Ni)(CC[5]CC)	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5]Ni)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	O(PC[6a]2Ni)(CC[5]CC)	109.2880	0.000	1	109.2880	0.000	1	109.6479	4.135	8	109.6479	4.135	8	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:4:2:	3:2:4:	4:4:	C[5]-3:C-4:C-4:O-2:	N[5]-3:O[5]-2:C-4:	P-4:C-4:	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5]Ni)(O[5]C[5])(CCCO)	O(PC[6a]NiO)(CC[5]CC)	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5]Ni)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	O(PC[6a]NiO)(CC[5]CC)	112.5270	1.628	2	112.5270	2.650	2	109.6479	4.135	8	109.6479	4.135	8	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:4:2:	3:2:4:	4:4:	C[5]-3:C-4:C-4:O-2:	N[5]-3:O[5]-2:C-4:	P-4:C-4:	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO)	O(PC[6a]2Pd)(CC[5]CC)	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	O(PC[6a]2Pd)(CC[5]CC)	108.6580	0.484	2	108.6580	0.234	2	109.6479	4.135	8	109.6479	4.135	8	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:4:2:	3:2:4:	4:4:	C[5]-3:C-4:C-4:O-2:	N[5]-3:O[5]-2:C-4:	P-4:C-4:	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO)	O(PC[6a]PdO)(CC[5]CC)	C(C[5]N[5]O[5])(CH3)2(OP)	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	O(PC[6a]PdO)(CC[5]CC)	107.9845	1.361	2	107.9845	1.853	2	109.6479	4.135	8	109.6479	4.135	8	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:4:2:	3:4:4:	4:1:	C[5]-3:C-4:C-4:O-2:	C[5,6]-3:C[5]-4:C-4:	C-4:H-1:	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	C[5](C[5,6]C[5,3x6]C[5,6])(C[5]C[5,6,6]HH)(CCCO)	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	C[5](C[5,6]C[5,3x6]C[5,6])(C[5]C[5,6,6]HH)(CCCO){1|C<3>,2|H<1>,4|C<4>}	O(CC[5]CC)(H)	106.0890	0.713	2	106.0890	0.508	2	106.0890	0.508	2	106.0890	0.508	2	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:4:2:	4:3:4:	4:1:	C[5]-3:C-4:C-4:O-2:	C[5,6]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO)	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(CC[5]CC)(H)	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	109.7123	7.061	3	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:4:2:	4:3:4:	4:1:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO)	O(CC[5]CC)(H)	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CC)(H)	107.1660	0.000	1	107.1660	0.000	1	108.3345	2.731	2	109.7123	7.061	3	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:4:2:	4:3:4:	4:1:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO)	O(CC[5]CC)(H)	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CC)(H)	109.5030	0.000	1	109.5030	0.000	1	108.3345	2.731	2	109.7123	7.061	3	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)	O(CC[5]2H)(H)	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO){4|H<1>}	O(CC[5]2H)(H)	109.4260	0.000	1	109.4260	0.000	1	109.4260	0.000	1	109.4260	0.000	1	109.5396	5.352	198	109.5375	5.253	202
490	818	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:4:2:	4:3:4:	4:1:	C[5,5]-4:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:C-4:	C-4:H-1:	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5,5]CO)	O(CC[5,5]C[5]C)(H)	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5,5]CO){4|C<4>}	O(CC[5,5]C[5]C)(H)	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	109.5396	5.352	198	109.5375	5.253	202
490	818	909	0:SP3_SP2_SP2	C	C[5]	S	3:2:1:1:	2:2:4:	3:4:	C[5]-3:S-2:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:	C(C[5]N[5]O[5])(SC[6a])(H)2	C[5](N[5]N[5])(O[5]C[5])(CHHS)	S(C[6a]N[6a]2)(CC[5]HH)	C(C[5]N[5]O[5])(SC[6a])(H)2	C[5](N[5]N[5])(O[5]C[5])(CHHS){1|C<4>,1|S<1>}	S(C[6a]N[6a]2)(CC[5]HH)	113.2660	0.000	1	113.2660	0.000	1	113.2660	0.000	1	113.2660	0.000	1	112.2520	2.470	6	112.2520	2.470	6
490	818	909	0:SP3_SP2_SP2	C	C[5]	S	3:2:1:1:	3:2:4:	3:4:	C[5]-3:S-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C[5a]-3:C-4:	C(C[5]N[5]2)(SC[5a])(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CHHS)	S(C[5a]N[5a]2)(CC[5]HH)	C(C[5]N[5]2)(SC[5a])(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CHHS){1|H<1>,1|S<1>}	S(C[5a]N[5a]2)(CC[5]HH)	112.8010	0.000	1	112.8010	0.000	1	112.8010	0.000	1	112.8010	0.000	1	112.2520	2.470	6	112.2520	2.470	6
490	818	909	0:SP3_SP2_SP2	C	C[5]	S	3:2:1:1:	3:3:4:	3:4:	C[5]-3:S-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[6]-3:C-4:	C(C[5]C[5]N[5])(SC[6])(H)2	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS)	S(C[6]C[6]N[6])(CC[5]HH)	C(C[5]C[5]N[5])(SC[6])(H)2	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS){1|C<4>}	S(C[6]C[6]N[6])(CC[5]HH)	112.7970	0.000	1	112.7970	0.000	1	112.7970	0.000	1	112.7413	0.557	3	112.2520	2.470	6	112.2520	2.470	6
490	818	909	0:SP3_SP2_SP2	C	C[5]	S	3:2:1:1:	3:3:4:	3:4:	C[5]-3:S-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:	C(C[5]C[5]N[5])(SC[6a])(H)2	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS)	S(C[6a]C[6a]N[6a])(CC[5]HH)	C(C[5]C[5]N[5])(SC[6a])(H)2	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS){1|C<4>}	S(C[6a]C[6a]N[6a])(CC[5]HH)	112.7135	1.053	2	112.7135	1.109	2	112.7135	1.109	2	112.7413	0.557	3	112.2520	2.470	6	112.2520	2.470	6
490	818	909	0:SP3_SP2_SP2	C	C[5]	S	3:4:2:1:	2:2:4:	3:4:	C[5]-3:C-4:S-2:H-1:	N[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	C[5](N[5]C[5])(O[5]C[5])(CCHS)	S(C[6a]C[6a]2)(CC[5]CH)	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	C[5](N[5]C[5])(O[5]C[5])(CCHS){2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(CC[5]CH)	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	112.2520	2.470	6	112.2520	2.470	6
490	818	909	0:SP3_SP2_SP3	C	C[5]	S	3:2:1:1:	3:2:4:	4:4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:C-4:	C(C[5]C[5]S[5])(SC)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHS)	S(CC[5]HH)(CCHH)	C(C[5]C[5]S[5])(SC)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHS){1|C<3>}	S(CC[5]HH)(CCHH)	113.3973	0.543	6	113.2517	1.688	10	113.2517	1.688	10	113.2517	1.688	10	112.9151	1.836	22	112.9151	1.836	22
490	818	909	0:SP3_SP2_SP3	C	C[5]	S	3:2:1:1:	3:2:4:	4:4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:C-4:	C(C[5]C[5]S[5])(SC)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHS)	S(CC[5]HH)(CCHH)	C(C[5]C[5]S[5])(SC)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHS){1|S<1>}	S(CC[5]HH)(CCHH)	113.0333	2.113	4	113.2517	1.688	10	113.2517	1.688	10	113.2517	1.688	10	112.9151	1.836	22	112.9151	1.836	22
490	818	909	0:SP3_SP2_SP3	C	C[5]	S	3:2:1:1:	3:3:4:	4:4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:C-4:	C(C[5]C[5]N[5])(SC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHS)	S(CC[5]HH)(CCHH)	C(C[5]C[5]N[5])(SC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHS){2|H<1>}	S(CC[5]HH)(CCHH)	111.6855	2.238	2	111.6855	5.009	2	111.6855	5.009	2	112.8468	2.021	9	112.9151	1.836	22	112.9151	1.836	22
490	818	909	0:SP3_SP2_SP3	C	C[5]	S	3:2:1:1:	3:3:4:	4:4:	C[5]-3:S-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:C-4:	C(C[5]N[5]2)(SC)(H)2	C[5](N[5]C[5,6a]H)2(CHHS)	S(CC[5]HH)(CCHH)	C(C[5]N[5]2)(SC)(H)2	C[5](N[5]C[5,6a]H)2(CHHS){2|C<3>}	S(CC[5]HH)(CCHH)	114.0270	0.000	1	114.0270	0.000	1	113.1786	1.281	7	112.8468	2.021	9	112.9151	1.836	22	112.9151	1.836	22
490	818	909	0:SP3_SP2_SP3	C	C[5]	S	3:2:1:1:	3:3:4:	4:4:	C[5]-3:S-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:C-4:	C(C[5]N[5]2)(SC)(H)2	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]H)(CHHS)	S(CC[5]HH)2	C(C[5]N[5]2)(SC)(H)2	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]H)(CHHS){2|C<3>}	S(CC[5]HH)2	113.3900	1.005	4	113.3900	1.011	4	113.1786	1.281	7	112.8468	2.021	9	112.9151	1.836	22	112.9151	1.836	22
490	818	909	0:SP3_SP2_SP3	C	C[5]	S	3:2:1:1:	3:3:4:	4:4:	C[5]-3:S-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:C-4:	C(C[5]N[5]2)(SC)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CHHS)	S(CC[5]HH)2	C(C[5]N[5]2)(SC)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CHHS){2|C<3>}	S(CC[5]HH)2	112.3315	1.524	2	112.3315	2.322	2	113.1786	1.281	7	112.8468	2.021	9	112.9151	1.836	22	112.9151	1.836	22
490	818	909	0:SP3_SP2_SP3	C	C[5]	S	3:3:2:1:	4:3:4:	4:4:	C[6a]-3:C[5]-3:S-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(SC)(H)	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS)	S(CC[6a]C[5]H)(CCHH)	C(C[6a]C[6a]2)(C[5]C[5]2)(SC)(H)	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS){6|C<3>}	S(CC[6a]C[5]H)(CCHH)	112.2425	1.770	2	112.2425	3.133	2	112.2425	3.133	2	112.2425	3.133	2	112.9151	1.836	22	112.9151	1.836	22
490	818	909	0:SP3_SP2_SP3	C	C[5]	S	3:4:4:2:	4:3:4:	4:2:	C[5]-3:C-4:C-4:S-2:	N[5]-4:N[5]-3:C-4:	C-4:S-2:	C(C[5]N[5]2)(CH3)2(SS)	C[5](N[5]C[5]HH)(N[5]C[5]C)(CCCS)	S(CC[5]CC)(SC)	C(C[5]N[5]2)(CH3)2(SS)	C[5](N[5]C[5]HH)(N[5]C[5]C)(CCCS){4|H<1>}	S(CC[5]CC)(SC)	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	112.9151	1.836	22	112.9151	1.836	22
490	818	924	0:SP3_SP-NON_SP2	C	C[5]	Br	3:1:1:1:	3:3:4:	4:	C[5]-3:Br-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(Br)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH)	Br(CC[5]HH)	C(C[5]C[5,6a]C[5])(Br)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH){1|H<1>,2|C<3>}	Br(CC[5]HH)	114.9080	0.000	1	114.9080	0.000	1	114.9080	0.000	1	114.9080	0.000	1	110.5594	7.400	7	110.5594	7.400	7
490	818	924	0:SP3_SP-NON_SP2	C	C[5]	Br	3:1:1:1:	4:3:4:	4:	C[5]-3:Br-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(Br)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH)	Br(CC[5]HH)	C(C[5]C[5]2)(Br)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH){2|H<1>,2|O<1>}	Br(CC[5]HH)	110.6055	1.133	4	110.6055	1.284	4	110.6055	1.284	4	110.6196	0.964	5	110.5594	7.400	7	110.5594	7.400	7
490	818	924	0:SP3_SP-NON_SP2	C	C[5]	Br	3:1:1:1:	4:3:4:	4:	C[5]-3:Br-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]S[5])(Br)(H)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CBrHH)	Br(CC[5]HH)	C(C[5]C[5]S[5])(Br)(H)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CBrHH){2|C<3>}	Br(CC[5]HH)	110.6760	0.000	1	110.6760	0.000	1	110.6760	0.000	1	110.6196	0.964	5	110.5594	7.400	7	110.5594	7.400	7
490	818	924	0:SP3_SP-NON_SP2	C	C[5]	Br	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:Br-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC)	Br(CC[5]CC)	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC){1|O<1>,2|C<3>}	Br(CC[5]CC)	105.9100	0.000	1	105.9100	0.000	1	105.9100	0.000	1	105.9100	0.000	1	110.5594	7.400	7	110.5594	7.400	7
490	818	930	0:SP3_SP2_SP2	C	C[5,6]	C	3:3:1:1:	4:3:4:	4:3:3:	C[5,6]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:C-3:C-3:	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C(CC[5,6]HH)(CCC)(CCO)	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(CC[5,6]HH)(CCC)(CCO)	111.2470	0.000	1	113.7843	4.894	3	113.7843	4.894	3	113.7843	4.894	3	112.2365	12.846	4	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5,6]	C	3:3:1:1:	4:3:4:	4:3:3:	C[5,6]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:C-3:C-3:	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C(CC[5,6]HH)(CCC)(CCO)	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(CC[5,6]HH)(CCC)(CCO)	115.0530	0.362	2	113.7843	4.894	3	113.7843	4.894	3	113.7843	4.894	3	112.2365	12.846	4	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5,6]	C	3:4:4:3:	4:3:4:	4:4:1:	C[5,6]-3:C-4:C-4:C-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:C-4:O-1:	C(C[5,6]C[5,5,6]C[5,6])(CH3)2(CCO)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(CC3)	C(CC[5,6]CC)(CC[5]CC)(O)	C(C[5,6]C[5,5,6]C[5,6])(CH3)2(CCO)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(CC3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(CC[5,6]CC)(CC[5]CC)(O)	107.5930	0.000	1	107.5930	0.000	1	107.5930	0.000	1	107.5930	0.000	1	112.2365	12.846	4	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:2:4:	3:4:1:	C[5]-3:C-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C[6a]-3:C-4:O-1:	C(C[5]N[5]O[5])(CC[6a]O)(H)2	C[5](N[5]C[5]H)(O[5]C[5])(CCHH)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]N[5]O[5])(CC[6a]O)(H)2	C[5](N[5]C[5]H)(O[5]C[5])(CCHH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]HH)(O)	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:2:4:	4:1:1:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:O-1:O-1:	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5]H)(N[5]N[5])(CCHH)	C(CC[5]HH)(O)2	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5]H)(N[5]N[5])(CCHH){1|H<1>,1|N<3>}	C(CC[5]HH)(O)2	113.9860	0.000	1	113.9860	0.000	1	113.9860	0.000	1	113.9860	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:2:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:O-2:O-1:	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]C[5]C)(N[5]N[5])(CCHH)	C(CC[5]HH)(OC)(O)	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]C[5]C)(N[5]N[5])(CCHH){1|C<4>,1|O<1>}	C(CC[5]HH)(OC)(O)	116.6970	0.000	1	116.6970	0.000	1	116.6970	0.000	1	115.7453	2.754	3	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:2:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:O-2:O-1:	C(C[5]C[5]S[5])(COO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C(CC[5]HH)(OH)(O)	C(C[5]C[5]S[5])(COO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|H<1>,1|S<1>}	C(CC[5]HH)(OH)(O)	113.8290	0.000	1	113.8290	0.000	1	113.8290	0.000	1	115.7453	2.754	3	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:2:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:O-2:O-1:	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5]Ni)(N[5]N[5])(CCHH)	C(CC[5]HH)(ONi)(O)	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5]Ni)(N[5]N[5])(CCHH){1|H<1>,1|N<3>}	C(CC[5]HH)(ONi)(O)	116.7100	0.000	1	116.7100	0.000	1	116.7100	0.000	1	115.7453	2.754	3	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	3:4:1:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(CC[5]HH)(O)	112.6560	0.000	1	112.6560	0.000	1	112.6560	0.000	1	112.6560	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:1:1:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:O-1:O-1:	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C(CC[5]HH)(O)2	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	C(CC[5]HH)(O)2	116.0320	0.000	1	116.0320	0.000	1	116.0320	0.000	1	115.0342	3.827	11	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:1:1:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:O-1:O-1:	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5]C)2(CCHH)	C(CC[5]HH)(O)2	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	C(CC[5]HH)(O)2	112.6120	0.953	3	112.6120	0.908	3	113.4334	2.114	5	115.0342	3.827	11	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:1:1:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:O-1:O-1:	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH)	C(CC[5]HH)(O)2	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	C(CC[5]HH)(O)2	114.6655	1.258	2	114.6655	1.582	2	113.4334	2.114	5	115.0342	3.827	11	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:1:1:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:O-1:S-1:	C(C[5]N[5]2)(COS)(H)2	C[5](N[5]C[5]C)2(CCHH)	C(CC[5]HH)(O)(S)	C(C[5]N[5]2)(COS)(H)2	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	C(CC[5]HH)(O)(S)	115.1955	0.255	2	115.1955	0.065	2	116.1380	2.697	3	115.0342	3.827	11	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:1:1:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:O-1:S-1:	C(C[5]N[5]2)(COS)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH)	C(CC[5]HH)(O)(S)	C(C[5]N[5]2)(COS)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	C(CC[5]HH)(O)(S)	118.0230	0.000	1	118.0230	0.000	1	116.1380	2.697	3	115.0342	3.827	11	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:1:1:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:S-1:S-1:	C(C[5]N[5]2)(CSS)(H)2	C[5](N[5]C[5]C)2(CCHH)	C(CC[5]HH)(S)2	C(C[5]N[5]2)(CSS)(H)2	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	C(CC[5]HH)(S)2	117.1390	0.000	1	117.1390	0.000	1	116.8815	0.133	2	115.0342	3.827	11	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:1:1:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:S-1:S-1:	C(C[5]N[5]2)(CSS)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH)	C(CC[5]HH)(S)2	C(C[5]N[5]2)(CSS)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	C(CC[5]HH)(S)2	116.6240	0.000	1	116.6240	0.000	1	116.8815	0.133	2	115.0342	3.827	11	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:C-3:F-1:F-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5]2)(COO)(F)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF)	C(CC[5]FF)(OC)(O)	C(C[5]C[5]2)(COO)(F)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF){4|C<3>}	C(CC[5]FF)(OC)(O)	116.0530	0.000	1	116.0530	0.000	1	116.0530	0.000	1	115.8409	1.550	12	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5,5a]C[5])(COO)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH)	C(CC[5]HH)(OH)(O)	C(C[5]C[5,5a]C[5])(COO)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(CC[5]HH)(OH)(O)	116.1320	0.000	1	116.1320	0.000	1	116.1320	0.000	1	115.8409	1.550	12	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5,6]C[5])(COO)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH)	C(CC[5]HH)(OH)(O)	C(C[5]C[5,6]C[5])(COO)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	C(CC[5]HH)(OH)(O)	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	115.8409	1.550	12	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(CC[5]HH)(OC)(O)	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(CC[5]HH)(OC)(O)	117.8810	0.000	1	117.8810	0.000	1	116.0623	2.934	3	115.8409	1.550	12	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(CC[5]HH)(OH)(O)	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){2|C<3>,3|H<1>}	C(CC[5]HH)(OH)(O)	114.4800	0.000	1	114.4800	0.000	1	116.0623	2.934	3	115.8409	1.550	12	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(CC[5]HH)(OH)(O)	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(CC[5]HH)(OH)(O)	115.8260	0.000	1	115.8260	0.000	1	116.0623	2.934	3	115.8409	1.550	12	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C(CC[5]HH)(OH)(O)	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C(CC[5]HH)(OH)(O)	117.2520	0.000	1	117.2520	0.000	1	117.2520	0.000	1	115.8409	1.550	12	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]S[5]H)(N[5]C[5]H)(CCHH)	C(CC[5]HH)(OC)(O)	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]S[5]H)(N[5]C[5]H)(CCHH){1|N<2>}	C(CC[5]HH)(OC)(O)	114.6330	0.000	1	114.6330	0.000	1	114.6330	0.000	1	115.8409	1.550	12	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]N[5,6]C[5])(COO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CCHH)	C(CC[5]HH)(OC)(O)	C(C[5]N[5,6]C[5])(COO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(CC[5]HH)(OC)(O)	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1	115.8409	1.550	12	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5]N[5])(COO)(H)2	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CCHH)	C(CC[5]HH)(ONi)(O)	C(C[5]C[5]N[5])(COO)(H)2	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CCHH){1|N<3>}	C(CC[5]HH)(ONi)(O)	115.3690	0.000	1	115.3690	0.000	1	115.7195	0.246	2	115.8409	1.550	12	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5]N[5])(COO)(H)2	C[5](N[5]C[5]Zn)(C[5]S[5]H)(CCHH)	C(CC[5]HH)(OZn)(O)	C(C[5]C[5]N[5])(COO)(H)2	C[5](N[5]C[5]Zn)(C[5]S[5]H)(CCHH){1|N<3>}	C(CC[5]HH)(OZn)(O)	116.0700	0.000	1	116.0700	0.000	1	115.7195	0.246	2	115.8409	1.550	12	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHH)	C(CC[5]HH)(ONi)(O)	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHH){2|C<3>}	C(CC[5]HH)(ONi)(O)	116.4810	0.000	1	116.4810	0.000	1	116.4810	0.000	1	115.8409	1.550	12	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:3:1:	C[5]-3:C-3:F-1:F-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(C[5]C[5]2)(CNO)(F)2	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF)	C(CC[5]FF)(NC[6a]H)(O)	C(C[5]C[5]2)(CNO)(F)2	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF){2|C<3>,2|C<4>,2|H<1>}	C(CC[5]FF)(NC[6a]H)(O)	114.4470	0.000	1	114.4470	0.000	1	114.4470	0.000	1	114.3143	0.608	6	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:3:1:	C[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)	C(CC[5]HH)(CHH)(H)	C(C[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH){1|C<2>,1|H<1>,2|C<3>}	C(CC[5]HH)(CHH)(H)	114.2180	0.505	2	114.2180	0.255	2	114.2180	0.255	2	114.3143	0.608	6	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:3:1:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(C[5]C[5]2)(CNO)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]2)(CNO)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(CC[5]HH)(NCH)(O)	113.7600	0.000	1	113.7600	0.000	1	113.7600	0.000	1	114.3143	0.608	6	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:3:1:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:N-3:O-1:	C(C[5]C[5]N[5])(CNO)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH)	C(CC[5]HH)(NC[6a]H)(O)	C(C[5]C[5]N[5])(CNO)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH){1|N<2>}	C(CC[5]HH)(NC[6a]H)(O)	115.6830	0.000	1	115.6830	0.000	1	115.6830	0.000	1	114.3143	0.608	6	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:3:1:	C[5]-3:C-3:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(C[5]N[5,6]C[5])(CNO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5])(CCHH)	C(CC[5]HH)(NCC)(O)	C(C[5]N[5,6]C[5])(CNO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5])(CCHH){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(CC[5]HH)(NCC)(O)	113.5600	0.000	1	113.5600	0.000	1	113.5600	0.000	1	114.3143	0.608	6	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:3:2:	C[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:C-3:O-2:	C(C[5]C[5]N[5])(CCO)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(CC[5]HH)(CC[6a]H)(ONi)	C(C[5]C[5]N[5])(CCO)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CC[5]HH)(CC[6a]H)(ONi)	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:3:3:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:C-3:	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	C(CC[5]HH)(CC[6a]H)(COO)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){4|H<1>}	C(CC[5]HH)(CC[6a]H)(COO)	111.3880	0.000	1	111.3880	0.000	1	113.7867	9.369	4	113.7867	9.369	4	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:3:3:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:C-3:	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]O)2(CCHH)	C(CC[5]HH)(CC[6a]H)(COO)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(CC[5]HH)(CC[6a]H)(COO)	114.5863	3.196	3	114.5863	10.217	3	113.7867	9.369	4	113.7867	9.369	4	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:4:4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:S-4:S-4:	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH)	C(CC[5]HH)(SCOO)2	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(CC[5]HH)(SCOO)2	114.9380	0.000	1	114.9380	0.000	1	114.3674	1.227	7	114.3674	1.227	7	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:4:4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:S-4:S-4:	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C(CC[5]HH)(SCOO)2	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>}	C(CC[5]HH)(SCOO)2	113.8043	1.056	3	114.2723	1.397	6	114.3674	1.227	7	114.3674	1.227	7	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:4:4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:S-4:S-4:	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C(CC[5]HH)(SCOO)2	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C(CC[5]HH)(SCOO)2	113.2810	0.000	1	114.2723	1.397	6	114.3674	1.227	7	114.3674	1.227	7	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:3:4:	4:4:4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:S-4:S-4:	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C(CC[5]HH)(SCOO)2	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	C(CC[5]HH)(SCOO)2	115.4700	0.498	2	114.2723	1.397	6	114.3674	1.227	7	114.3674	1.227	7	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	3:4:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:O-2:O-1:	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH)	C(CC[5]HH)(OC)(O)	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH){1|C<3>,1|H<1>,2|O<2>}	C(CC[5]HH)(OC)(O)	114.1047	2.772	3	114.1047	7.686	3	114.1047	7.686	3	114.1047	7.686	3	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:2:4:	4:3:1:	C[5]-3:C-3:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:C-3:H-1:	C(C[5]C[5,6]N[5])(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CCHH)	C(CC[5]HH)(CCH)(H)	C(C[5]C[5,6]N[5])(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(CC[5]HH)(CCH)(H)	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	3:4:1:	C[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[5]C[5]N[5])(CC[6a]O)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]N[5])(CC[6a]O)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH){1|O<1>}	C(C[6a]C[6a]2)(CC[5]HH)(O)	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]N[5,6]CC)(C[5]C[5,6]H)(CCHH)	C(CC[5]HH)(OC)(O)	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]N[5,6]CC)(C[5]C[5,6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CC[5]HH)(OC)(O)	113.9010	0.000	1	113.9010	0.000	1	113.9010	0.000	1	114.5440	0.827	2	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	4:2:1:	C[5]-3:C-3:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5]P[5])(COO)(H)2	C[5](P[5]C[6a]2C[5])(C[5]P[5]O)(CCHH)	C(CC[5]HH)(OH)(O)	C(C[5]C[5]P[5])(COO)(H)2	C[5](P[5]C[6a]2C[5])(C[5]P[5]O)(CCHH){7|C<3>}	C(CC[5]HH)(OH)(O)	115.1870	0.000	1	115.1870	0.000	1	115.1870	0.000	1	114.5440	0.827	2	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	4:3:1:	C[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5,6]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)	C(CC[5]HH)(CC[6a]H)(H)	C(C[5]C[5,6]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH){2|C<4>,3|H<1>}	C(CC[5]HH)(CC[6a]H)(H)	110.0990	0.000	1	110.0990	0.000	1	110.7860	0.944	2	111.0370	0.661	3	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	4:3:1:	C[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5,6]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)	C(CC[5]HH)(CHH)(H)	C(C[5]C[5,6]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH){2|C<4>,3|H<1>}	C(CC[5]HH)(CHH)(H)	111.4730	0.000	1	111.4730	0.000	1	110.7860	0.944	2	111.0370	0.661	3	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	4:3:1:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	C(CC[5]HH)(CHH)(H)	C(C[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>,1|S<4>}	C(CC[5]HH)(CHH)(H)	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	111.0370	0.661	3	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	4:3:3:	C[5]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:C-3:C-3:	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	C(CC[5]HH)(CCC)(CCO)	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(CC[5]HH)(CCC)(CCO)	112.9095	2.559	2	113.2733	3.671	3	113.2733	3.671	3	113.5973	2.474	6	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	4:3:3:	C[5]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:C-3:C-3:	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	C(CC[5]HH)(CCC)(CCO)	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(CC[5]HH)(CCC)(CCO)	114.0010	0.000	1	113.2733	3.671	3	113.2733	3.671	3	113.5973	2.474	6	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	4:3:3:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:C-3:	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH)	C(CC[5]HH)(CCC)(CCO)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH){2|C<4>,2|H<1>}	C(CC[5]HH)(CCC)(CCO)	113.9213	1.483	3	113.9213	2.200	3	113.9213	2.200	3	113.5973	2.474	6	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	4:3:4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:C-4:	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	C(CC[5]HH)(CC[5a]H)(CH3)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	C(CC[5]HH)(CC[5a]H)(CH3)	110.0680	0.000	1	110.0680	0.000	1	110.0680	0.000	1	110.0680	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	4:4:1:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-4:O-1:	C(C[5]C[5]2)(CCO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)	C(CC[5]HH)(CC[6]CH)(O)	C(C[5]C[5]2)(CCO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH){1|O<1>}	C(CC[5]HH)(CC[6]CH)(O)	114.7950	0.000	1	114.7950	0.000	1	114.7950	0.000	1	114.7950	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	4:4:3:	C[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:C-4:C-3:	C(C[5]C[5,6]C[5])(CCC)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)	C(CC[5]HH)(CH3)(CHH)	C(C[5]C[5,6]C[5])(CCC)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH){2|C<4>,3|H<1>}	C(CC[5]HH)(CH3)(CHH)	114.0110	0.000	1	114.0110	0.000	1	114.0110	0.000	1	112.4405	4.933	2	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:1:1:	4:3:4:	4:4:3:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-4:C-3:	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	C(CC[5]HH)(CH3)(CCC)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|S<4>,2|H<1>}	C(CC[5]HH)(CH3)(CCC)	110.8700	0.000	1	110.8700	0.000	1	110.8700	0.000	1	112.4405	4.933	2	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:2:1:	4:3:4:	4:2:1:	C[5]-3:C-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5]N[5])(COO)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CCHO)	C(CC[5]HO)(OC)(O)	C(C[5]C[5]N[5])(COO)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CCHO){4|C<3>}	C(CC[5]HO)(OC)(O)	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:1:	3:3:4:	4:2:1:	C[5]-3:C-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5,6a]C[5])(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH)	C(CC[5]CH)(OC)(O)	C(C[5]C[5,6a]C[5])(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH){1|P<4>,2|C<3>,2|H<1>}	C(CC[5]CH)(OC)(O)	112.8335	0.525	2	112.8335	0.276	2	112.8335	0.276	2	112.8760	0.143	3	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:1:	3:3:4:	4:2:1:	C[5]-3:N-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5]2)(NC[6a]H)(COO)(H)	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN)	C(CC[5]HN)(OC)(O)	C(C[5]C[5]2)(NC[6a]H)(COO)(H)	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN){4|H<1>}	C(CC[5]HN)(OC)(O)	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	112.8760	0.143	3	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C[6a]-3:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH){1|C<3>,3|H<1>}	C(CC[6a]C[5]H)(C[6a]C[6a]2)(O)	114.3110	0.000	1	114.3110	0.000	1	114.3110	0.000	1	114.3110	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:1:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C-3:H-1:	C[5]-3:S[5]-3:C-4:	C-4:C-3:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]CH)	C(CC[6a]C[5]H)(CCH)(COO)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C(CC[6a]C[5]H)(CCH)(COO)	109.3090	0.000	1	109.3090	0.000	1	109.3090	0.000	1	109.3090	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:1:	3:4:4:	4:2:1:	C[5]-3:C-3:C-3:H-1:	C[5]-3:C[5]-4:C-4:	C-4:O-2:O-1:	C(C[5]C[5]2)(COO)2(H)	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH)	C(CC[5]CH)(OC)(O)	C(C[5]C[5]2)(COO)2(H)	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH){1|C<4>,2|N<3>,3|C<3>}	C(CC[5]CH)(OC)(O)	111.9930	0.704	2	111.9930	0.496	2	111.9930	0.496	2	111.9930	0.496	2	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:1:	4:3:4:	4:2:1:	C[5]-3:C-3:C-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5,6]C[5])(COO)2(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	C(CC[5]CH)(OC)(O)	C(C[5]C[5,6]C[5])(COO)2(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>,3|H<1>}	C(CC[5]CH)(OC)(O)	111.8645	0.842	2	111.8645	0.709	2	111.8645	0.709	2	112.0253	0.337	6	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:1:	4:3:4:	4:2:1:	C[5]-3:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5]2)(CCH)(COO)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH)	C(CC[5]CH)(OC)(O)	C(C[5]C[5]2)(CCH)(COO)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH){1|S<4>,2|H<1>}	C(CC[5]CH)(OC)(O)	111.5340	0.000	1	111.5340	0.000	1	112.2257	0.363	3	112.0253	0.337	6	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:1:	4:3:4:	4:2:1:	C[5]-3:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5]2)(COO)2(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH)	C(CC[5]CH)(OC)(O)	C(C[5]C[5]2)(COO)2(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH){2|C<3>}	C(CC[5]CH)(OC)(O)	112.5715	0.087	2	112.5715	0.008	2	112.2257	0.363	3	112.0253	0.337	6	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:1:	4:3:4:	4:2:1:	C[6a]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH)	C(CC[6a]C[5]H)(OC)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH){4|H<1>}	C(CC[6a]C[5]H)(OC)(O)	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	112.0253	0.337	6	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:1:	4:3:4:	4:3:1:	C[5]-3:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5]2)(CCH)(COO)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH)	C(CC[5]CH)(CC[6a]H)(H)	C(C[5]C[5]2)(CCH)(COO)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH){1|S<4>,2|H<1>}	C(CC[5]CH)(CC[6a]H)(H)	111.1040	0.000	1	111.1040	0.000	1	111.1040	0.000	1	111.1040	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:1:	4:3:4:	4:3:3:	C[5]-3:C[6a]-3:C-3:H-1:	S[5]-4:C[5]-3:C-4:	C-4:C-3:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	C(CC[6a]C[5]H)(CCH)(COO)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C(CC[6a]C[5]H)(CCH)(COO)	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:2:	3:3:4:	4:2:1:	C[5]-3:C-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO)	C(CC[5]CO)(OC)(O)	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO){1|H<1>,2|C<3>}	C(CC[5]CO)(OC)(O)	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	109.8795	3.669	2	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:2:	3:3:4:	4:2:1:	C[6a]-3:C[5]-3:C-3:O-2:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO)	C(CC[6a]C[5]O)(OC)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO){1|C<3>,2|H<1>}	C(CC[6a]C[5]O)(OC)(O)	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	109.8795	3.669	2	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:2:	3:3:4:	4:4:1:	C[5]-3:C-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:O-1:	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO)	C(CC[5]CO)(CH3)(O)	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO){1|H<1>,2|C<3>}	C(CC[5]CO)(CH3)(O)	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:3:3:	2:2:4:	4:3:3:	C[5]-3:C-3:N-3:N-3:	N[5]-2:N[5]-2:C-4:	C-4:N-3:N-3:	C(C[5]N[5]2)(CNN)(NOO)2	C[5](N[5]N[5])2(CCNN)	C(CC[5]NN)(NHH)2	C(C[5]N[5]2)(CNN)(NOO)2	C[5](N[5]N[5])2(CCNN)	C(CC[5]NN)(NHH)2	116.8600	0.000	1	116.8600	0.000	1	116.8600	0.000	1	116.8600	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:3:4:4:	3:2:4:	3:3:4:	C[5]-3:C-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:	C[6a]-3:P-3:C-4:	C(C[5]N[5]O[5])(CC[6a]P)(CH3)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CC3)	C(C[6a]C[6a]2)(PC[6a]Pd)(CC[5]CC)	C(C[5]N[5]O[5])(CC[6a]P)(CH3)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CC3){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(PC[6a]Pd)(CC[5]CC)	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:4:3:1:	3:2:4:	4:2:1:	C[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-2:C-4:	C-4:O-2:O-1:	C(C[5]C[5]N[5])(CCHN)(COO)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCCH)	C(CC[5]CH)(OC)(O)	C(C[5]C[5]N[5])(CCHN)(COO)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCCH){2|H<1>}	C(CC[5]CH)(OC)(O)	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:4:3:1:	3:3:4:	4:3:1:	C[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5]2)(CH3)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	C(CC[5]CH)(CC[6a]H)(H)	C(C[5]C[5]2)(CH3)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(CC[5]CH)(CC[6a]H)(H)	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:4:3:1:	3:4:4:	4:2:1:	C[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-4:C-4:	C-4:O-2:O-1:	C(C[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH)	C(CC[5]CH)(OC)(O)	C(C[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH){4|C<3>}	C(CC[5]CH)(OC)(O)	110.3460	0.000	1	110.3460	0.000	1	110.3460	0.000	1	110.3460	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:4:3:1:	4:2:4:	4:3:1:	C[5]-3:C-4:C-3:H-1:	C[5,6]-4:C[5]-2:C-4:	C-4:C-3:H-1:	C(C[5]C[5,6]C[5])(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5])(CCCH)	C(CC[5]CH)(CCH)(H)	C(C[5]C[5,6]C[5])(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5])(CCCH){1|C<2>,1|C<3>}	C(CC[5]CH)(CCH)(H)	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:4:4:3:	3:3:4:	4:2:1:	C[5]-3:C-4:C-4:C-3:	N[5]-3:N[5]-3:C-4:	C-4:N-2:O-1:	C(C[5]N[5]2)(CH3)2(CNO)	C[5](N[5]C[5]C)2(CC3)	C(CC[5]CC)(NC[6a])(O)	C(C[5]N[5]2)(CH3)2(CNO)	C[5](N[5]C[5]C)2(CC3){2|C<3>}	C(CC[5]CC)(NC[6a])(O)	105.8760	0.000	1	105.8760	0.000	1	105.8760	0.000	1	105.8760	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:4:4:3:	3:3:4:	4:4:1:	C[5]-3:C-4:C-4:C-3:	C[5]-3:C[5]-3:C-4:	C-4:C-4:O-1:	C(C[5]C[5]2)(CH3)2(CCO)	C[5](C[5]C[5]H)(C[5]S[5]H)(CC3)	C(CC[5a]CC)(CC[5]CC)(O)	C(C[5]C[5]2)(CH3)2(CCO)	C[5](C[5]C[5]H)(C[5]S[5]H)(CC3){1|H<1>,2|O<1>}	C(CC[5a]CC)(CC[5]CC)(O)	114.5020	0.000	1	114.5020	0.000	1	114.5020	0.000	1	114.5020	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:4:4:3:	4:2:4:	3:4:1:	C[5]-3:C-4:C-4:C-3:	C[5,5,6]-4:N[5]-2:C-4:	C-3:C-4:H-1:	C(C[5]C[5,5,6]N[5])(CH3)2(CCH)	C[5](C[5,5,6]C[5,6,6a]C[5,6,6]N[5])(N[5]C[5,6a])(CC3)	C(CC[5,6]H)(CC[5]CC)(H)	C(C[5]C[5,5,6]N[5])(CH3)2(CCH)	C[5](C[5,5,6]C[5,6,6a]C[5,6,6]N[5])(N[5]C[5,6a])(CC3){2|C<4>,2|H<1>,3|C<3>}	C(CC[5,6]H)(CC[5]CC)(H)	113.7850	0.000	1	113.7850	0.000	1	113.7850	0.000	1	113.7850	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	3:4:4:3:	4:3:4:	4:4:1:	C[5]-3:C-4:C-4:C-3:	C[5,5,6]-4:C[5]-3:C-4:	C-4:C-4:O-1:	C(C[5]C[5,5,6]C[5])(CH3)2(CCO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]H)(CC3)	C(CC[5,6]CC)(CC[5]CC)(O)	C(C[5]C[5,5,6]C[5])(CH3)2(CCO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]H)(CC3){1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<1>}	C(CC[5,6]CC)(CC[5]CC)(O)	113.3690	0.000	1	113.3690	0.000	1	113.3690	0.000	1	113.3690	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	4:3:3:1:	3:2:4:	4:4:3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-4:	C-4:C-4:C-3:	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)	C(CC[5]2H)(CH3)(CHH)	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH){1|O<1>,2|C<4>}	C(CC[5]2H)(CH3)(CHH)	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	4:3:3:1:	3:3:4:	3:4:1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH)	C(C[6a]C[6a]2)(CC[5]2H)(O)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH){2|H<1>}	C(C[6a]C[6a]2)(CC[5]2H)(O)	112.6190	0.000	1	112.6190	0.000	1	112.6190	0.000	1	112.6190	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	930	0:SP3_SP2_SP2	C	C[5]	C	4:3:3:1:	4:3:4:	4:3:1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH)	C(CC[5]2H)(CC[6a]H)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH){1|C<3>,2|H<1>}	C(CC[5]2H)(CC[6a]H)(H)	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	113.5796	5.277	99	113.5275	5.516	103
490	818	941	0:SP3_SP2_SP2	C	C[5]	N	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[5]-3:C[5]-3:N-2:	C-4:N[5]-3:N[5]-3:	C-4:C[6a]-3:	C(C[6a]C[6a]2)(C[5]N[5]2)2(NC[6a])	C[5](CC[6a]C[5]N)(N[5]C[5]O)2	N(CC[6a]C[5]2)(C[6a]C[6a]2)	C(C[6a]C[6a]2)(C[5]N[5]2)2(NC[6a])	C[5](CC[6a]C[5]N)(N[5]C[5]O)2{4|C<4>}	N(CC[6a]C[5]2)(C[6a]C[6a]2)	106.9455	4.576	2	106.9455	20.937	2	106.9455	20.937	2	106.9455	20.937	2	106.9455	20.937	2	106.9455	20.937	2
490	818	945	0:SP3_SP2_SP3	C	C[5]	P	3:3:1:1:	2:2:4:	3:3:4:	C[5]-3:P-3:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[5]N[5]S[5])(PC[6a]2)(H)2	C[5](N[5]C[5])(S[5]C[5])(CHHP)	P(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]N[5]S[5])(PC[6a]2)(H)2	C[5](N[5]C[5])(S[5]C[5])(CHHP){4|H<1>}	P(C[6a]C[6a]2)2(CC[5]HH)	112.6970	0.000	1	112.6970	0.000	1	112.6970	0.000	1	112.6970	0.000	1	113.6500	8.996	7	113.6500	8.996	7
490	818	945	0:SP3_SP2_SP3	C	C[5]	P	3:3:1:1:	3:2:4:	3:4:4:	C[5]-3:P-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C[6a]-3:C-4:C-4:	C(C[5]N[5]O[5])(PC[6a]C)(H)2	C[5](N[5]C[5]Fe)(O[5]C[5])(CHHP)	P(C[6a]C[6a]2)(CC[5]HH)2	C(C[5]N[5]O[5])(PC[6a]C)(H)2	C[5](N[5]C[5]Fe)(O[5]C[5])(CHHP){2|C<4>,2|H<1>}	P(C[6a]C[6a]2)(CC[5]HH)2	111.0300	4.286	2	111.0300	18.374	2	111.0300	18.374	2	111.0300	18.374	2	113.6500	8.996	7	113.6500	8.996	7
490	818	945	0:SP3_SP2_SP3	C	C[5]	P	3:3:1:1:	3:2:4:	4:4:4:	C[5]-3:P-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:C-4:C-4:	C(C[5]C[5]N[5])(PCC)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHP)	P(CC[5]HH)(CCCH)2	C(C[5]C[5]N[5])(PCC)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHP){1|C<4>,1|H<1>}	P(CC[5]HH)(CCCH)2	114.1065	0.794	2	114.1065	0.631	2	115.4107	5.418	3	115.4107	5.418	3	113.6500	8.996	7	113.6500	8.996	7
490	818	945	0:SP3_SP2_SP3	C	C[5]	P	3:3:1:1:	3:2:4:	4:4:4:	C[5]-3:P-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:C-4:C-4:	C(C[5]C[5]N[5])(PCC)(H)2	C[5](C[5]C[5]P)(N[5]P[5])(CHHP)	P(CC[5]HH)(CC3)2	C(C[5]C[5]N[5])(PCC)(H)2	C[5](C[5]C[5]P)(N[5]P[5])(CHHP){1|N<2>,2|C<4>}	P(CC[5]HH)(CC3)2	118.0190	0.000	1	118.0190	0.000	1	115.4107	5.418	3	115.4107	5.418	3	113.6500	8.996	7	113.6500	8.996	7
490	818	945	0:SP3_SP2_SP3	C	C[5]	P	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:P-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[5]N[5]2)(PC[6a]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHP)	P(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]N[5]2)(PC[6a]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHP){2|H<1>}	P(C[6a]C[6a]2)2(CC[5]HH)	114.5610	0.000	1	114.5610	0.000	1	114.5610	0.000	1	114.5610	0.000	1	113.6500	8.996	7	113.6500	8.996	7
490	818	951	0:SP3_SP-NON_SP2	C	C[5,5]	H	3:1:1:1:	4:4:4:	4:	C[5,5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2)(H)3	C[5,5](C[5,5,6]C[5,6]2C)2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2)(H)3	C[5,5](C[5,5,6]C[5,6]2C)2(CH3){2|C<4>,2|N<3>}	H(CC[5,5]HH)	109.4217	0.061	6	109.4217	0.004	6	109.4217	0.004	6	109.4217	0.004	6	109.4217	0.004	6	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	3:4:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6,6]-3:C[5,5,6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6])(H)3	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6,6])(H)3	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4935	0.005	2	109.4935	0.000	2	109.4935	0.000	2	109.4935	0.000	2	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:Cl-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH)	H(CC[5,6]ClH)	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH){4|Cl<1>,1|C<3>}	H(CC[5,6]ClH)	109.6140	0.042	4	109.6140	0.002	4	109.6140	0.002	4	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[3,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5,6])(H)3	C[5,6](C[3,5,6]C[3,4,5]P[3,4,6]C)(C[5,6]C[4,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5,6])(H)3	C[5,6](C[3,5,6]C[3,4,5]P[3,4,6]C)(C[5,6]C[4,5,6]C)(CH3){1|P<4>,1|W<6>,2|C<4>}	H(CC[5,6]HH)	109.4387	0.068	3	109.4387	0.005	3	109.4553	0.003	6	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[3,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5,6])(H)3	C[5,6](C[3,5,6]Si[3,4,6]C[3,4,5]C)(C[5,6]C[4,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5,6])(H)3	C[5,6](C[3,5,6]Si[3,4,6]C[3,4,5]C)(C[5,6]C[4,5,6]C)(CH3){1|Si<4>,1|N<3>,2|C<4>}	H(CC[5,6]HH)	109.4720	0.036	3	109.4720	0.001	3	109.4553	0.003	6	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|C<3>,1|H<1>,1|P<3>,1|P<4>,2|C<4>}	H(CC[5,6]HH)	109.4930	0.019	3	109.4932	0.001	6	109.4826	0.002	23	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,3|C<4>}	H(CC[5,6]HH)	109.4933	0.037	3	109.4932	0.001	6	109.4826	0.002	23	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	H(CC[5,6]HH)	109.4743	0.065	3	109.4743	0.004	3	109.4826	0.002	23	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,1|W<6>,2|C<4>}	H(CC[5,6]HH)	109.5080	0.014	3	109.5080	0.000	3	109.4826	0.002	23	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4600	0.008	2	109.4502	0.000	4	109.4826	0.002	23	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4405	0.016	2	109.4502	0.000	4	109.4826	0.002	23	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	H(CC[5,6]HH)	109.4847	0.055	7	109.4847	0.003	7	109.4826	0.002	23	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C)(C[5,6]C[4,5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C)(C[5,6]C[4,5,5,6]C)(CH3){1|C<3>,1|P<4>,3|C<4>}	H(CC[5,6]HH)	109.5048	0.053	4	109.4928	0.002	8	109.4811	0.002	14	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C)(C[5,6]C[4,5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C)(C[5,6]C[4,5,5,6]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	H(CC[5,6]HH)	109.4808	0.034	4	109.4928	0.002	8	109.4811	0.002	14	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]C[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]C[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	H(CC[5,6]HH)	109.4727	0.061	3	109.4727	0.004	3	109.4811	0.002	14	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]P[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]P[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3){1|P<3>,1|P<4>,1|W<6>,2|C<4>}	H(CC[5,6]HH)	109.4583	0.049	3	109.4583	0.002	3	109.4811	0.002	14	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[4,5,6]C[5,6])(H)3	C[5,6](C[4,5,6]C[3,4,5]P[4,6]C)(C[5,6]C[3,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[4,5,6]C[5,6])(H)3	C[5,6](C[4,5,6]C[3,4,5]P[4,6]C)(C[5,6]C[3,5,6]C)(CH3){1|P<4>,1|W<6>,3|C<4>}	H(CC[5,6]HH)	109.4430	0.062	3	109.4430	0.004	3	109.4603	0.003	6	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[4,5,6]C[5,6])(H)3	C[5,6](C[4,5,6]C[3,4,5]Si[4,6]C)(C[5,6]C[3,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[4,5,6]C[5,6])(H)3	C[5,6](C[4,5,6]C[3,4,5]Si[4,6]C)(C[5,6]C[3,5,6]C)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,2|C<4>}	H(CC[5,6]HH)	109.4777	0.063	3	109.4777	0.004	3	109.4603	0.003	6	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Cl<1>,1|P<3>,4|C<4>}	H(CC[5,6]HH)	109.4330	0.037	3	109.4734	0.006	9	109.4734	0.006	9	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Ga<4>,1|P<3>,4|C<4>}	H(CC[5,6]HH)	109.4893	0.014	3	109.4734	0.006	9	109.4734	0.006	9	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|I<1>,1|P<3>,4|C<4>}	H(CC[5,6]HH)	109.4980	0.142	3	109.4734	0.006	9	109.4734	0.006	9	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|P<4>,4|C<4>}	H(CC[5,6]HH)	109.4830	0.048	2	109.4860	0.001	3	109.4602	0.001	12	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|H<1>,1|P<4>,4|C<4>}	H(CC[5,6]HH)	109.4920	0.000	1	109.4860	0.001	3	109.4602	0.001	12	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,3x6]P[5,5,6]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,3x6]P[5,5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|C<4>}	H(CC[5,6]HH)	109.4567	0.053	3	109.4567	0.003	3	109.4602	0.001	12	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	H(CC[5,6]HH)	109.4603	0.030	3	109.4490	0.001	6	109.4602	0.001	12	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|S<1>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4377	0.037	3	109.4490	0.001	6	109.4602	0.001	12	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(CC[5,6]HH)	109.4882	0.038	17	109.4752	0.002	41	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4428	0.038	11	109.4752	0.002	41	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.5072	0.037	5	109.4752	0.002	41	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	H(CC[5,6]HH)	109.4800	0.035	2	109.4752	0.002	41	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(CC[5,6]HH)	109.4517	0.048	3	109.4752	0.002	41	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4880	0.013	3	109.4752	0.002	41	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,2|C<4>,2|P<4>}	H(CC[5,6]HH)	109.4830	0.058	3	109.4830	0.003	3	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,3|C<4>}	H(CC[5,6]HH)	109.4756	0.057	5	109.4756	0.003	5	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4566	0.028	5	109.4566	0.001	5	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|C<4>,1|N<2>,1|S<1>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	111.6837	1.890	3	111.6837	3.571	3	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4700	0.021	3	109.4700	0.000	3	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[5,6]HH)	109.4737	0.031	16	109.4738	0.001	18	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<1>,3|C<4>}	H(CC[5,6]HH)	109.4740	0.020	2	109.4738	0.001	18	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5,6]HH)	110.7298	0.886	6	110.7298	0.785	6	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|S<1>,2|C<4>}	H(CC[5,6]HH)	109.4680	0.030	2	110.3732	2.712	49	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	111.9528	2.005	11	110.3732	2.712	49	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	H(CC[5,6]HH)	109.9470	1.637	3	110.3732	2.712	49	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[5,6]HH)	109.4529	0.059	8	110.3732	2.712	49	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(CC[5,6]HH)	109.4460	0.019	3	110.3732	2.712	49	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	H(CC[5,6]HH)	109.4684	0.054	5	110.3732	2.712	49	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(CC[5,6]HH)	109.4537	0.020	3	110.3732	2.712	49	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5,6]HH)	109.4683	0.062	3	110.3732	2.712	49	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	112.1208	1.668	6	110.3732	2.712	49	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4474	0.027	5	110.3732	2.712	49	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	H(CC[5,6]HH)	109.4521	0.069	11	109.4663	0.002	42	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|N<3>,4|C<4>}	H(CC[5,6]HH)	109.4743	0.035	15	109.4663	0.002	42	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){2|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4684	0.040	16	109.4663	0.002	42	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Pd<4>,2|H<1>,4|C<3>}	H(CC[5,6]HH)	109.5298	0.048	6	109.6804	0.928	17	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Rh<6>,2|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4262	0.064	4	109.6804	0.928	17	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	110.6060	2.417	3	109.6804	0.928	17	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){2|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4660	0.018	4	109.6804	0.928	17	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]H)(CH3){1|S<1>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	111.2377	2.277	3	111.2377	5.184	3	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4528	0.025	5	109.4615	0.001	8	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4760	0.025	3	109.4615	0.001	8	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(CH3){1|C<4>,1|O<1>,3|H<1>}	H(CC[5,6]HH)	109.4896	0.032	5	109.4896	0.001	5	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<2>,3|C<4>}	H(CC[5,6]HH)	109.4700	0.033	5	109.4700	0.001	5	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|N<3>,3|C<4>}	H(CC[5,6]HH)	109.4635	0.035	6	109.4635	0.001	6	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|As<3>,1|W<6>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4530	0.023	3	109.4530	0.001	3	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	H(CC[5,6]HH)	109.5233	0.039	3	109.5233	0.002	3	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<2>,3|H<1>}	H(CC[5,6]HH)	109.4663	0.024	3	109.4663	0.001	3	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|H<1>,2|C<3>}	H(CC[5,6]HH)	109.4693	0.031	3	109.4693	0.001	3	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CH3){4|C<4>}	H(CC[5,6]HH)	109.4706	0.023	5	109.4706	0.001	5	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CH3){1|C<4>,1|H<1>,2|F<1>}	H(CC[5,6]HH)	109.4520	0.036	3	109.4520	0.001	3	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(CC[5,6]HH)	109.4818	0.036	5	109.4762	0.002	68	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4558	0.034	15	109.4762	0.002	68	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4665	0.011	2	109.4762	0.002	68	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	H(CC[5,6]HH)	109.4882	0.047	14	109.4762	0.002	68	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(CC[5,6]HH)	109.4883	0.043	15	109.4762	0.002	68	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4705	0.038	11	109.4762	0.002	68	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Ru<8>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(CC[5,6]HH)	109.4797	0.098	3	109.4762	0.002	68	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Ru<8>,1|C<3>,1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4757	0.040	3	109.4762	0.002	68	109.6912	0.739	307	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:1:1:1:	4:3:4:	4:	C[5,6]-3:H-1:H-1:H-1:	P[5,5,6,6]-4:P[5,6]-3:C-4:	C-4:	C(C[5,6]P[5,5,6,6]P[5,6])(H)3	C[5,6](P[5,5,6,6]C[3,5,6,6]C[5,5,6,6]W)(P[5,6]C[5,5,6,6]W)(CH3)	H(CC[5,6]HH)	C(C[5,6]P[5,5,6,6]P[5,6])(H)3	C[5,6](P[5,5,6,6]C[3,5,6,6]C[5,5,6,6]W)(P[5,6]C[5,5,6,6]W)(CH3){1|P<2>,2|P<3>,3|C<4>}	H(CC[5,6]HH)	109.4883	0.027	3	109.4883	0.001	3	109.4883	0.001	3	109.6491	0.598	384	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:3:1:1:	4:2:4:	4:	C[5,6]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-2:C-4:	C-4:	C(C[5,6]C[5,5,6]N[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]N[6])(N[5,6]C[5,5,6,6])(CC[6a]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,5,6]N[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]N[6])(N[5,6]C[5,5,6,6])(CC[6a]HH){1|C<3>,1|H<1>,4|C<4>}	H(CC[5,6]C[6a]H)	108.6790	0.013	2	108.6790	0.000	2	108.6790	0.000	2	108.6790	0.000	2	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:3:1:1:	4:3:4:	4:	C[5,6]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5,6]CH)	109.3915	0.021	2	108.8013	0.213	6	108.8013	0.213	6	108.8013	0.213	6	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:3:1:1:	4:3:4:	4:	C[5,6]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[5,6]CH)	108.5062	0.086	4	108.8013	0.213	6	108.8013	0.213	6	108.8013	0.213	6	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CCCH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CCCH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[5,6]CH)	107.7315	0.043	2	107.7315	0.002	2	108.3908	0.397	9	108.6610	0.184	30	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH){1|Si<4>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5,6]CH)	107.7080	0.000	1	107.7080	0.000	1	108.3908	0.397	9	108.6610	0.184	30	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH){5|C<3>}	H(CC[5,6]CH)	108.9290	0.044	2	108.9290	0.002	2	108.3908	0.397	9	108.6610	0.184	30	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|B<3>,1|C<3>,3|C<4>}	H(CC[5,6]CH)	108.1115	0.022	2	108.6220	0.348	4	108.3908	0.397	9	108.6610	0.184	30	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){2|C<3>,3|C<4>}	H(CC[5,6]CH)	109.1325	0.005	2	108.6220	0.348	4	108.3908	0.397	9	108.6610	0.184	30	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6]C[5]H)	108.4748	0.120	4	108.7136	0.063	14	108.7768	0.062	21	108.6610	0.184	30	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]C[5]H)	108.8091	0.224	10	108.7136	0.063	14	108.7768	0.062	21	108.6610	0.184	30	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,1|O<2>,4|H<1>}	H(CC[5,6]C[5]H)	109.0108	0.110	5	108.9033	0.042	7	108.7768	0.062	21	108.6610	0.184	30	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,5|H<1>}	H(CC[5,6]C[5]H)	108.6345	0.033	2	108.9033	0.042	7	108.7768	0.062	21	108.6610	0.184	30	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:2:1:	3:3:4:	4:	C[5,6]-3:C-4:O-2:H-1:	P[5,5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a])(CCHO)	H(CC[5,6]CO)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a])(CCHO){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,6]CO)	109.2060	0.069	2	109.2060	0.005	2	109.2060	0.005	2	109.2060	0.005	2	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:2:1:	4:3:4:	4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO)	H(CC[5,6]C[5]O)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO){1|C<4>,1|O<2>,4|H<1>}	H(CC[5,6]C[5]O)	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:4:1:	4:3:4:	4:	C[5,6]-3:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6]CC)	107.6500	0.000	1	107.6500	0.000	1	106.2964	0.488	8	106.2964	0.488	8	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:4:1:	4:3:4:	4:	C[5,6]-3:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|C<3>,1|O<1>,3|C<4>}	H(CC[5,6]CC)	106.8650	0.000	1	106.4520	0.341	2	106.2964	0.488	8	106.2964	0.488	8	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:4:1:	4:3:4:	4:	C[5,6]-3:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]CC)	106.0390	0.000	1	106.4520	0.341	2	106.2964	0.488	8	106.2964	0.488	8	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5,6]	H	3:4:4:1:	4:3:4:	4:	C[5,6]-3:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH){2|C<4>,4|H<1>}	H(CC[5,6]CC)	105.9634	0.400	5	105.9634	0.160	5	106.2964	0.488	8	106.2964	0.488	8	109.4976	0.821	435	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-2:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5])(N[5]N[5])(CH3){1|Ru<9>,1|H<1>}	H(CC[5]HH)	111.3417	3.896	3	111.3417	15.177	3	111.3417	15.177	3	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-2:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5])(S[5]C[5])(CH3){1|H<1>,1|N<3>}	H(CC[5]HH)	109.8750	0.140	3	109.8750	0.020	3	109.8750	0.020	3	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a])2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a])2(CH3){2|C<3>}	H(CC[5]HH)	109.4447	0.057	3	109.4447	0.003	3	109.2559	1.248	37	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5])(N[5]N[5])(CH3){1|S<2>}	H(CC[5]HH)	109.4597	0.043	3	109.4597	0.002	3	109.2559	1.248	37	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5])2(CH3){1|H<1>,1|N<2>}	H(CC[5]HH)	109.4730	0.020	3	109.4816	0.005	11	109.2559	1.248	37	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5])2(CH3){1|H<1>,1|N<3>}	H(CC[5]HH)	109.4922	0.091	5	109.4816	0.005	11	109.2559	1.248	37	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5])2(CH3){2|H<1>}	H(CC[5]HH)	109.4727	0.074	3	109.4816	0.005	11	109.2559	1.248	37	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5])2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5])2(CH3)	H(CC[5]HH)	109.4746	0.048	5	109.4698	0.002	8	109.2559	1.248	37	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5])2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5])2(CH3){2|Ir<8>}	H(CC[5]HH)	109.4617	0.028	3	109.4698	0.002	8	109.2559	1.248	37	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]Se[5])2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]Se[5])2(CH3)	H(CC[5]HH)	108.8083	1.938	12	108.8083	3.756	12	109.2559	1.248	37	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4823	0.031	3	109.4751	0.001	13	109.4095	0.158	64	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){2|C<4>,2|O<2>}	H(CC[5]HH)	109.4729	0.024	10	109.4751	0.001	13	109.4095	0.158	64	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,5])(O[5]C[5,5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,5])(O[5]C[5,5])(CH3){1|O<2>,3|C<4>}	H(CC[5]HH)	109.4843	0.016	3	109.4843	0.000	3	109.4095	0.158	64	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3){1|C<3>,1|H<1>,2|O<2>}	H(CC[5]HH)	109.4713	0.036	3	109.4630	0.001	6	109.4095	0.158	64	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4547	0.036	3	109.4630	0.001	6	109.4095	0.158	64	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5])(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5])(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4360	0.027	3	109.4723	0.001	37	109.4095	0.158	64	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5])(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5])(O[5]C[5])(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4755	0.030	34	109.4723	0.001	37	109.4095	0.158	64	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]P[5])(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]P[5])(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|W<6>}	H(CC[5]HH)	108.1193	1.524	3	108.6650	1.720	5	109.4095	0.158	64	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]P[5])(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]P[5])(O[5]C[5])(CH3){1|H<1>,1|W<6>,2|C<4>}	H(CC[5]HH)	109.4835	0.015	2	108.6650	1.720	5	109.4095	0.158	64	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:P[5]-2:C-4:	C-4:	C(C[5]N[5]P[5])(H)3	C[5](N[5]N[5])(P[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]P[5])(H)3	C[5](N[5]N[5])(P[5]N[5])(CH3){1|C<4>}	H(CC[5]HH)	109.4498	0.032	6	109.4498	0.001	6	109.4498	0.001	6	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5,6])(S[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5,6])(S[5]C[5,6])(CH3){1|C<3>,1|H<1>,2|O<2>}	H(CC[5]HH)	109.4145	0.026	2	109.4521	0.004	7	109.7363	1.015	125	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5,6])(S[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5,6])(S[5]C[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4672	0.073	5	109.4521	0.004	7	109.7363	1.015	125	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5])(S[5]C[5])(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4785	0.018	2	109.4785	0.000	2	109.7363	1.015	125	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3){1|C<3>,1|N<3>}	H(CC[5]HH)	109.4737	0.032	9	109.4737	0.001	9	109.7363	1.015	125	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3){1|B<4>,1|S<1>}	H(CC[5]HH)	109.9911	0.773	10	109.7818	1.173	107	109.7363	1.015	125	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3){1|B<4>,1|S<2>}	H(CC[5]HH)	109.6444	0.566	19	109.7818	1.173	107	109.7363	1.015	125	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3){1|C<3>,1|S<1>}	H(CC[5]HH)	109.4622	0.036	6	109.7818	1.173	107	109.7363	1.015	125	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3){1|Co<4>,1|N<3>}	H(CC[5]HH)	109.4758	0.032	5	109.7818	1.173	107	109.7363	1.015	125	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3){1|H<1>,1|N<2>}	H(CC[5]HH)	109.8886	1.377	59	109.7818	1.173	107	109.7363	1.015	125	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3){1|Pd<4>,1|N<3>}	H(CC[5]HH)	109.4887	0.024	3	109.7818	1.173	107	109.7363	1.015	125	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5])(S[5]C[5])(CH3){1|Pt<4>,1|N<3>}	H(CC[5]HH)	109.4908	0.034	5	109.7818	1.173	107	109.7363	1.015	125	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](O[5]C[5,5])(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](O[5]C[5,5])(N[5]C[5])(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4667	0.040	3	109.4667	0.002	3	109.5768	0.149	48	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](O[5]C[5,6])(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](O[5]C[5,6])(N[5]C[5])(CH3){1|C<4>,3|C<3>}	H(CC[5]HH)	109.7527	0.598	18	109.7527	0.358	18	109.5768	0.149	48	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[3x5])(N[5]O[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[3x5])(N[5]O[5])(CH3){4|O<2>}	H(CC[5]HH)	109.4720	0.026	6	109.4720	0.001	6	109.5768	0.149	48	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[5,5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[5,5])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(CC[5]HH)	109.4820	0.039	6	109.4706	0.001	12	109.5768	0.149	48	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[5,5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[5,5])(N[5]N[5])(CH3){1|C<3>,1|N<4>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4690	0.007	2	109.4706	0.001	12	109.5768	0.149	48	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[5,5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[5,5])(N[5]N[5])(CH3){1|N<3>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4543	0.025	4	109.4706	0.001	12	109.5768	0.149	48	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[5,6])(N[5]N[5,6])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[5,6])(N[5]N[5,6])(CH3){1|O<2>,2|C<4>}	H(CC[5]HH)	109.4914	0.016	5	109.4914	0.000	5	109.5768	0.149	48	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[5,6])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[5,6])(N[5]N[5])(CH3){1|C<3>,1|H<1>,2|N<3>}	H(CC[5]HH)	109.4655	0.018	2	109.4655	0.000	2	109.5768	0.149	48	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:2:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](O[5]Si[5])(N[5]N[5])(CH3){1|O<2>,2|C<4>}	H(CC[5]HH)	109.4345	0.015	2	109.4345	0.000	2	109.5768	0.149	48	109.5865	0.830	286	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6])(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6])(N[5]C[5]C)(CH3){1|O<1>,2|C<4>}	H(CC[5]HH)	109.4680	0.024	3	109.4680	0.001	3	109.4680	0.001	3	109.4689	0.000	27	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:3:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4540	0.012	3	109.4572	0.000	5	109.4689	0.000	21	109.4689	0.000	27	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:3:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3){2|H<1>,2|N<3>}	H(CC[5]HH)	109.4620	0.011	2	109.4572	0.000	5	109.4689	0.000	21	109.4689	0.000	27	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:3:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](O[5]C[5,6])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](O[5]C[5,6])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	H(CC[5]HH)	109.4555	0.006	2	109.4555	0.000	2	109.4689	0.000	21	109.4689	0.000	27	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:3:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](O[5]C[5,6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](O[5]C[5,6])(C[5]C[5]H)(CH3){2|H<1>,2|N<3>}	H(CC[5]HH)	109.4637	0.013	3	109.4637	0.000	3	109.4689	0.000	21	109.4689	0.000	27	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:3:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](O[5]C[5,6])(C[5]O[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](O[5]C[5,6])(C[5]O[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4780	0.018	6	109.4780	0.000	6	109.4689	0.000	21	109.4689	0.000	27	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:3:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](O[5]Ge[5,5])(C[5]O[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](O[5]Ge[5,5])(C[5]O[5]C)(CH3){2|Si<4>}	H(CC[5]HH)	109.4782	0.035	5	109.4782	0.001	5	109.4689	0.000	21	109.4689	0.000	27	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	2:3:4:	4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-3:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](O[5]B[5,5])(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](O[5]B[5,5])(N[5]C[5]H)(CH3){1|C<3>,1|H<1>,2|O<2>}	H(CC[5]HH)	109.4693	0.015	3	109.4693	0.000	3	109.4693	0.000	3	109.4689	0.000	27	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:Cl-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(Cl)(H)2	C[5](C[5]Se[5]Cl)(N[5]C[5])(CClHH)	H(CC[5]ClH)	C(C[5]C[5]N[5])(Cl)(H)2	C[5](C[5]Se[5]Cl)(N[5]C[5])(CClHH){1|C<3>}	H(CC[5]ClH)	109.2370	0.052	4	109.2370	0.003	4	109.2370	0.003	4	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:Cl-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(Cl)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CClHH)	H(CC[5]ClH)	C(C[5]N[5]2)(Cl)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CClHH){1|C<4>,1|H<1>}	H(CC[5]ClH)	109.5130	0.208	6	109.5130	0.043	6	109.5130	0.043	6	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5,5]O[5])(H)3	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]O[5])(H)3	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.4850	0.045	2	109.4850	0.002	2	109.4850	0.002	2	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-2:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]N[5,6]C[6])(C[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]N[5,6]C[6])(C[5]C[5])(CH3){1|B<4>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.4900	0.042	5	109.4900	0.002	5	109.4900	0.002	5	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5,6]O[5])(H)3	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]O[5])(H)3	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	H(CC[5]HH)	109.4443	0.013	3	109.4443	0.000	3	109.4443	0.000	3	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5,6a]O[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]O[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4735	0.015	2	109.4735	0.000	2	109.4735	0.000	2	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:Se[5]-2:C-4:	C-4:	C(C[5]C[5,6a]Se[5])(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]Se[5])(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3){1|C<4>,3|C<3>}	H(CC[5]HH)	109.4613	0.019	3	109.4613	0.000	3	109.4613	0.000	3	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)(C[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)(C[5]C[5])(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4370	0.043	6	109.4499	0.002	9	109.4499	0.002	9	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)(C[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)(C[5]C[5])(CH3){1|Fe<5>,1|C<3>}	H(CC[5]HH)	109.4757	0.034	3	109.4499	0.002	9	109.4499	0.002	9	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]N)(N[5]O[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]N)(N[5]O[5])(CH3){2|C<4>}	H(CC[5]HH)	109.4530	0.016	2	109.4530	0.000	2	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a])(CH3){4|C<3>}	H(CC[5]HH)	109.4763	0.035	3	109.4763	0.001	3	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	H(CC[5]HH)	109.4700	0.029	3	109.5632	0.043	17	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<4>,2|C<3>}	H(CC[5]HH)	109.6371	0.270	9	109.5632	0.043	17	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4710	0.007	2	109.5632	0.043	17	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|N<3>,1|S<2>,2|C<3>}	H(CC[5]HH)	109.4960	0.029	3	109.5632	0.043	17	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4997	0.043	6	109.4997	0.002	6	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.5597	0.583	210	109.5499	0.303	236	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<2>,1|V<8>}	H(CC[5]HH)	109.4850	0.034	3	109.5499	0.303	236	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4744	0.031	5	109.5499	0.303	236	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Gd<14>,1|C<3>,1|O<2>}	H(CC[5]HH)	109.4658	0.038	5	109.5499	0.303	236	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Tb<14>,1|C<3>,1|O<2>}	H(CC[5]HH)	109.4696	0.029	5	109.5499	0.303	236	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Tm<14>,1|C<3>,1|O<2>}	H(CC[5]HH)	109.5050	0.038	3	109.5499	0.303	236	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3){2|Gd<14>,1|C<3>,1|O<3>}	H(CC[5]HH)	109.3960	0.000	1	109.5499	0.303	236	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3){2|Tb<14>,1|C<3>,1|O<3>}	H(CC[5]HH)	109.4330	0.000	1	109.5499	0.303	236	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5])(CH3){2|Tm<14>,1|C<3>,1|O<3>}	H(CC[5]HH)	109.4623	0.054	3	109.5499	0.303	236	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]O[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]O[5])(CH3){1|O<1>}	H(CC[5]HH)	109.4746	0.023	15	109.4702	0.001	17	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]O[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]O[5])(CH3){2|H<1>}	H(CC[5]HH)	109.4375	0.047	2	109.4702	0.001	17	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4657	0.039	4	109.4729	0.001	7	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4823	0.036	3	109.4729	0.001	7	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5])(CH3){1|C<4>}	H(CC[5]HH)	109.4445	0.040	4	109.4445	0.002	4	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	112.1485	4.686	6	110.9223	12.965	11	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5])(CH3){2|C<3>}	H(CC[5]HH)	109.4405	0.016	2	110.9223	12.965	11	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5])(CH3){3|C<4>}	H(CC[5]HH)	109.4577	0.013	3	110.9223	12.965	11	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4353	0.014	3	109.4603	0.002	16	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<4>}	H(CC[5]HH)	109.4661	0.047	13	109.4603	0.002	16	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4716	0.030	49	109.4720	0.001	59	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4830	0.042	5	109.4720	0.001	59	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4646	0.018	5	109.4720	0.001	59	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]O[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]O[5])(CH3){1|O<1>}	H(CC[5]HH)	109.4464	0.039	7	109.4464	0.002	7	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]P)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]P)(N[5]N[5])(CH3){1|Ce<13>,1|C<3>,1|O<2>}	H(CC[5]HH)	109.4590	0.025	6	109.4614	0.000	8	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]P)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]P)(N[5]N[5])(CH3){1|Ce<16>,1|C<3>,1|O<2>}	H(CC[5]HH)	109.4685	0.005	2	109.4614	0.000	8	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]S)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]S)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4587	0.022	3	109.4587	0.000	3	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Se)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Se)(N[5]N[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4808	0.038	6	109.4641	0.002	10	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Se)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Se)(N[5]N[5])(CH3){1|C<4>}	H(CC[5]HH)	109.4390	0.044	4	109.4641	0.002	10	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5])(N[5]N[5])(CH3){1|C<4>,2|C<3>}	H(CC[5]HH)	109.4682	0.086	6	109.4682	0.007	6	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5])(CH3){1|H<1>}	H(CC[5]HH)	109.5110	0.055	3	109.5110	0.003	3	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]O[5]O)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]O[5]O)(N[5]C[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4800	0.018	2	109.4800	0.000	2	109.5570	0.537	417	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]B[5]H)(O[5]B[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]B[5]H)(O[5]B[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4605	0.008	2	109.4605	0.000	2	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[3,5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[3,5]C)(O[5]C[5])(CH3){2|C<3>,2|C<4>}	H(CC[5]HH)	109.4790	0.017	3	109.4790	0.000	3	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[4,5,6]C)(O[5]C[4,5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[4,5,6]C)(O[5]C[4,5,6])(CH3){2|C<3>,2|C<4>}	H(CC[5]HH)	109.4680	0.006	2	109.4680	0.000	2	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(CH3){1|O<2>,3|C<4>}	H(CC[5]HH)	109.4707	0.031	6	109.4707	0.001	6	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5]C)(O[5]C[3x5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5]C)(O[5]C[3x5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4850	0.044	3	109.4850	0.002	3	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4603	0.028	3	109.4603	0.001	3	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4793	0.055	3	109.4793	0.003	3	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5]H)(O[5]C[5,5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5]H)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4667	0.017	3	109.4667	0.000	3	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4677	0.029	3	109.4677	0.001	3	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CH3){1|H<1>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.4858	0.035	5	109.4858	0.001	5	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(CC[5]HH)	109.4650	0.020	2	109.4749	0.005	29	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|O<2>}	H(CC[5]HH)	109.4560	0.008	2	109.4749	0.005	29	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[5]HH)	109.5035	0.021	2	109.4749	0.005	29	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4613	0.202	3	109.4749	0.005	29	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4900	0.030	6	109.4749	0.005	29	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4643	0.027	3	109.4749	0.005	29	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4640	0.034	3	109.4749	0.005	29	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4767	0.082	8	109.4749	0.005	29	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.5123	0.088	3	109.5123	0.008	3	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4560	0.032	3	109.4573	0.001	9	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3){1|Si<5>,1|Ti<7>,1|H<1>}	H(CC[5]HH)	109.4580	0.031	6	109.4573	0.001	9	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Co<6>,1|C<3>}	H(CC[5]HH)	109.4670	0.014	2	109.3357	0.775	16	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Pd<4>,1|C<4>}	H(CC[5]HH)	108.7753	2.284	3	109.3357	0.775	16	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Pt<4>,1|H<1>}	H(CC[5]HH)	109.4462	0.071	5	109.3357	0.775	16	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Zn<4>,1|N<3>}	H(CC[5]HH)	109.4800	0.037	6	109.3357	0.775	16	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]S)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]S)(O[5]C[5])(CH3){1|C<3>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4617	0.017	3	109.4745	0.001	6	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]S)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]S)(O[5]C[5])(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4873	0.044	3	109.4745	0.001	6	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(CH3){1|O<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4820	0.018	3	109.4820	0.000	3	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CH3){1|Al<6>,1|C<3>}	H(CC[5]HH)	109.4532	0.023	6	109.4710	0.002	12	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CH3){1|Co<4>,1|C<3>}	H(CC[5]HH)	109.4888	0.057	6	109.4710	0.002	12	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<2>}	H(CC[5]HH)	109.4423	0.032	3	109.4423	0.001	3	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]C)(O[5]C[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4687	0.024	3	109.4687	0.001	3	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]S[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]S[5]C)(O[5]C[5])(CH3){1|N<2>}	H(CC[5]HH)	109.4663	0.042	3	109.4663	0.002	3	109.4541	0.102	120	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-2:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[6a]C[5])(P[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[6a]C[5])(P[5]C[5])(CH3){1|C<4>,3|C<3>}	H(CC[5]HH)	109.4930	0.031	3	109.4930	0.001	3	109.4766	0.002	14	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-2:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](C[5]N[5]C)(P[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](C[5]N[5]C)(P[5]N[5])(CH3){1|Co<4>,1|Si<4>}	H(CC[5]HH)	109.4674	0.044	5	109.4722	0.002	11	109.4766	0.002	14	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-2:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](C[5]N[5]C)(P[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](C[5]N[5]C)(P[5]N[5])(CH3){1|Ni<4>,1|H<1>}	H(CC[5]HH)	109.4762	0.047	6	109.4722	0.002	11	109.4766	0.002	14	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5,5]C)(S[5]C[5,5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5,5]C)(S[5]C[5,5])(CH3){1|Zr<11>,2|C<4>}	H(CC[5]HH)	110.3113	1.010	3	110.3113	1.020	3	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5])(CH3){1|Zr<13>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4610	0.036	6	109.4610	0.001	6	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5,5]H)(S[5]C[5,5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5,5]H)(S[5]C[5,5])(CH3){1|Ti<8>,2|C<4>}	H(CC[5]HH)	109.5147	0.041	3	109.5147	0.002	3	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4110	0.031	2	109.4476	0.001	7	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4622	0.028	5	109.4476	0.001	7	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5]H)(S[5]S[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5]H)(S[5]S[5])(CH3){1|S<2>}	H(CC[5]HH)	109.4677	0.115	6	109.4677	0.013	6	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5]N[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5]N[5])(S[5]C[5])(CH3){1|C<3>,1|H<1>,2|N<3>}	H(CC[5]HH)	109.4517	0.036	6	109.4517	0.001	6	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5]S[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5]S[5])(S[5]C[5])(CH3){1|C<4>,2|C<3>}	H(CC[5]HH)	109.4740	0.028	3	109.4740	0.001	3	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CC[5]HH)	109.4575	0.005	2	109.4797	0.001	4	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[5]HH)	109.5020	0.037	2	109.4797	0.001	4	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[6a]O[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[6a]O[5])(S[5]C[5])(CH3){3|C<3>}	H(CC[5]HH)	109.4827	0.041	3	109.4827	0.002	3	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[6a]S[5])(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[6a]S[5])(S[5]C[5])(CH3){3|C<3>}	H(CC[5]HH)	109.9121	0.642	14	109.9121	0.412	14	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5,5]H)(S[5]C[5,5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5,5]H)(S[5]C[5,5])(CH3){1|B<4>,1|C<3>}	H(CC[5]HH)	109.4773	0.074	3	109.4773	0.005	3	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(CH3){1|N<3>,3|C<3>}	H(CC[5]HH)	109.4510	0.055	3	109.4510	0.003	3	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CH3){1|B<4>,1|N<2>}	H(CC[5]HH)	109.4763	0.034	3	109.4763	0.001	3	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5,6]H)(S[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5,6]H)(S[5]C[5,6])(CH3){1|B<4>,1|N<2>}	H(CC[5]HH)	109.4747	0.026	3	109.4747	0.001	3	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5,6a]C)(S[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5,6a]C)(S[5]C[5,6a])(CH3){2|C<3>}	H(CC[5]HH)	109.4808	0.027	5	109.4808	0.001	5	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4689	0.040	8	109.4715	0.002	45	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.5017	0.034	3	109.4715	0.002	45	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|S<1>}	H(CC[5]HH)	109.3785	0.059	2	109.4715	0.002	45	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4913	0.020	4	109.4715	0.002	45	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|P<2>}	H(CC[5]HH)	109.4810	0.028	2	109.4715	0.002	45	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|P<4>}	H(CC[5]HH)	109.4494	0.037	5	109.4715	0.002	45	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Fe<4>,1|C<3>}	H(CC[5]HH)	109.4820	0.061	6	109.4715	0.002	45	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Fe<5>,1|C<3>}	H(CC[5]HH)	109.4798	0.044	5	109.4715	0.002	45	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|O<2>,1|S<1>}	H(CC[5]HH)	109.4990	0.016	2	109.4715	0.002	45	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Re<6>,1|H<1>}	H(CC[5]HH)	109.4780	0.007	2	109.4715	0.002	45	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Rh<8>,1|C<3>}	H(CC[5]HH)	109.4723	0.027	3	109.4715	0.002	45	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Rh<9>,1|C<3>}	H(CC[5]HH)	109.4560	0.027	3	109.4715	0.002	45	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]H)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]H)(S[5]C[5])(CH3){1|H<1>,1|N<2>}	H(CC[5]HH)	109.4614	0.041	12	109.4704	0.002	54	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]H)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]N[5]H)(S[5]C[5])(CH3){1|H<1>,1|N<3>}	H(CC[5]HH)	109.4729	0.045	42	109.4704	0.002	54	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>,1|W<6>}	H(CC[5]HH)	109.4110	0.032	3	109.6927	0.723	517	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>}	H(CC[5]HH)	109.6964	0.856	509	109.6927	0.723	517	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|S<2>}	H(CC[5]HH)	109.4900	0.050	5	109.6927	0.723	517	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]H)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]H)(S[5]C[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4452	0.060	22	109.4452	0.004	22	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]I)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]I)(S[5]C[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4888	0.063	10	109.4888	0.004	10	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]S)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]S)(S[5]C[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4773	0.154	29	109.4773	0.024	29	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]Sb)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]Sb)(S[5]C[5])(CH3){1|C<3>}	H(CC[5]HH)	109.5160	0.044	3	109.5160	0.002	3	109.6347	0.521	752	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(C[5]Se[5]C[5])(H)3	C[5](C[5]C[6a]N[5])(Se[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]Se[5]C[5])(H)3	C[5](C[5]C[6a]N[5])(Se[5]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CC[5]HH)	109.4850	0.013	2	109.4850	0.000	2	109.4584	0.759	278	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(C[5]Se[5]C[5])(H)3	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]Se[5]C[5])(H)3	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4582	0.875	276	109.4582	0.765	276	109.4584	0.759	278	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-2:C-4:	C-4:	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]S[5])(CH3)	H(CC[5]HH)	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]S[5])(CH3){1|C<4>,1|N<2>,2|H<1>}	H(CC[5]HH)	109.1727	4.600	3	109.1727	21.157	3	109.1727	21.157	3	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-2:C-4:	C-4:	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	H(CC[5]HH)	109.4488	0.064	5	109.4488	0.004	5	109.4488	0.004	5	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5,6]N[5])(H)3	C[5](N[5,6]C[5,6]N[6])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5,6]N[5])(H)3	C[5](N[5,6]C[5,6]N[6])(N[5]N[5])(CH3){1|Ru<6>,1|C<3>,1|S<2>}	H(CC[5]HH)	109.5043	0.021	3	109.5043	0.000	3	109.5043	0.000	3	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5,6]O[5])(H)3	C[5](N[5,6]N[5,6]B[6])(O[5]B[5])(CH3)	H(CC[5]HH)	C(C[5]N[5,6]O[5])(H)3	C[5](N[5,6]N[5,6]B[6])(O[5]B[5])(CH3){1|C<3>,1|N<3>,4|F<1>}	H(CC[5]HH)	109.4777	0.011	3	109.4777	0.000	3	109.4777	0.000	3	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]H)(C[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]H)(C[5]C[5])(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4427	0.023	6	109.4427	0.001	6	110.2826	4.345	22	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]B)(C[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]B)(C[5]C[5])(CH3){1|Ni<7>,1|C<4>}	H(CC[5]HH)	111.3227	1.262	3	111.3227	1.592	3	110.2826	4.345	22	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(C[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(C[5]C[5])(CH3){1|Zn<4>,1|C<4>}	H(CC[5]HH)	109.4714	0.036	5	109.4714	0.001	5	110.2826	4.345	22	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5])(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	113.6723	4.432	3	113.6723	19.638	3	110.2826	4.345	22	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5])(CH3){2|C<4>}	H(CC[5]HH)	109.4438	0.068	5	109.4438	0.005	5	110.2826	4.345	22	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5])(CH3){1|B<5>,1|C<4>,4|B<6>}	H(CC[5]HH)	109.4615	0.029	2	109.4615	0.001	2	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,5]H)(N[5]N[5,5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,5]H)(N[5]N[5,5])(CH3){1|C<3>,1|N<3>}	H(CC[5]HH)	109.4790	0.039	3	109.4790	0.002	3	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,5a]H)(N[5]N[5,5a])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,5a]H)(N[5]N[5,5a])(CH3){1|C<3>,1|N<3>}	H(CC[5]HH)	109.4717	0.023	3	109.4717	0.001	3	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4759	0.029	133	109.4759	0.001	133	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|B<4>,1|S<1>}	H(CC[5]HH)	109.4843	0.033	17	109.5976	0.614	106	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|B<4>,1|S<2>}	H(CC[5]HH)	109.4649	0.055	57	109.5976	0.614	106	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	111.7130	2.674	6	109.5976	0.614	106	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|H<1>,1|S<1>}	H(CC[5]HH)	109.4654	0.023	5	109.5976	0.614	106	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|Rh<4>,1|S<2>}	H(CC[5]HH)	109.4866	0.033	8	109.5976	0.614	106	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|Rh<6>,1|S<2>}	H(CC[5]HH)	109.4641	0.092	9	109.5976	0.614	106	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|Rh<6>,1|S<3>}	H(CC[5]HH)	109.4850	0.030	4	109.5976	0.614	106	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]H)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]H)(N[5]C[5])(CH3){4|H<1>}	H(CC[5]HH)	106.5677	3.915	3	106.5677	15.324	3	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]H)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]H)(N[5]N[5])(CH3){1|H<1>,1|N<2>}	H(CC[5]HH)	109.4785	0.008	2	109.4785	0.000	2	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.5817	0.038	3	109.5817	0.001	3	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|C<4>,1|S<1>}	H(CC[5]HH)	109.4646	0.027	19	109.3423	1.957	67	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|S<1>}	H(CC[5]HH)	109.4721	0.033	45	109.3423	1.957	67	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|S<2>}	H(CC[5]HH)	106.6217	7.274	3	109.3423	1.957	67	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]O)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]O)(N[5]C[5])(CH3){4|C<4>}	H(CC[5]HH)	109.4600	0.008	2	109.4600	0.000	2	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]S)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]S)(N[5]C[5])(CH3){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4963	0.016	3	109.4672	0.002	6	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]S)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]S)(N[5]C[5])(CH3){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4380	0.036	3	109.4672	0.002	6	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5])(CH3){1|O<1>,3|C<3>}	H(CC[5]HH)	109.4663	0.066	9	109.4663	0.004	9	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3){1|B<4>,1|S<2>,2|C<3>}	H(CC[5]HH)	109.4740	0.036	7	109.4659	0.003	18	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<6>,3|C<3>}	H(CC[5]HH)	109.4730	0.039	3	109.4659	0.003	18	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3){1|Zn<4>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.4520	0.084	6	109.4659	0.003	18	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3){3|C<3>}	H(CC[5]HH)	109.4685	0.028	2	109.4659	0.003	18	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Co<6>,1|C<3>}	H(CC[5]HH)	109.4153	0.055	3	109.4702	0.002	97	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Fe<6>,1|C<3>}	H(CC[5]HH)	109.5053	0.024	3	109.4702	0.002	97	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Mn<6>,1|C<3>}	H(CC[5]HH)	109.4667	0.101	3	109.4702	0.002	97	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Ni<5>,1|C<3>}	H(CC[5]HH)	109.4758	0.049	6	109.4702	0.002	97	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Ni<6>,1|C<3>}	H(CC[5]HH)	109.4761	0.052	11	109.4702	0.002	97	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Ru<9>,1|C<3>}	H(CC[5]HH)	109.4980	0.000	1	109.4702	0.002	97	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Ru<9>,1|C<4>}	H(CC[5]HH)	109.4625	0.032	13	109.4702	0.002	97	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Zn<4>,1|C<3>}	H(CC[5]HH)	109.4531	0.038	13	109.4702	0.002	97	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Zn<4>,1|C<4>}	H(CC[5]HH)	109.4803	0.053	32	109.4702	0.002	97	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Zn<5>,1|C<3>}	H(CC[5]HH)	109.4693	0.060	8	109.4702	0.002	97	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Zn<6>,1|C<3>}	H(CC[5]HH)	109.4575	0.025	4	109.4702	0.002	97	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]C)(N[5]N[5])(CH3){1|N<3>}	H(CC[5]HH)	109.4823	0.025	3	109.4823	0.001	3	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Cr)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Cr)(N[5]C[5])(CH3){1|C<4>}	H(CC[5]HH)	109.4603	0.046	3	109.4603	0.002	3	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ir)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ir)(N[5]N[5])(CH3){1|Ir<8>}	H(CC[5]HH)	109.4950	0.014	3	109.4950	0.000	3	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ni)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ni)(N[5]C[5])(CH3){1|B<4>,1|C<3>}	H(CC[5]HH)	109.4583	0.056	3	109.4583	0.003	3	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Rh)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Rh)(N[5]N[5])(CH3){1|Rh<8>}	H(CC[5]HH)	109.4853	0.048	12	109.4853	0.002	12	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ru)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ru)(N[5]C[5])(CH3){1|B<4>,1|C<3>}	H(CC[5]HH)	109.4845	0.056	2	109.4781	0.002	15	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ru)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ru)(N[5]C[5])(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4772	0.039	13	109.4781	0.002	15	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Th)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Th)(N[5]N[5])(CH3)	H(CC[5]HH)	109.4930	0.028	4	109.4930	0.001	4	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ti)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ti)(N[5]C[5])(CH3){1|C<4>}	H(CC[5]HH)	109.4948	0.078	11	109.4948	0.006	11	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]U)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]U)(N[5]N[5])(CH3)	H(CC[5]HH)	109.4872	0.045	5	109.4872	0.002	5	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Zn)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Zn)(N[5]C[5])(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4810	0.068	2	109.4810	0.005	2	109.4663	0.492	515	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CH3){1|B<5>,1|C<3>,1|C<4>,1|H<1>,4|B<6>}	H(CC[5]HH)	109.4799	0.032	9	109.4799	0.001	9	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CH3){1|O<2>,2|C<4>}	H(CC[5]HH)	109.4273	0.038	3	109.4273	0.001	3	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,6a]Pd)(O[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,6a]Pd)(O[5]C[5,6a])(CH3){2|C<3>}	H(CC[5]HH)	109.4553	0.024	3	109.4553	0.001	3	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,6a]Pt)(O[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,6a]Pt)(O[5]C[5,6a])(CH3){2|C<3>}	H(CC[5]HH)	109.5780	0.326	3	109.5780	0.106	3	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CH3){2|C<3>}	H(CC[5]HH)	109.4468	0.044	6	109.4468	0.002	6	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]Ag)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]Ag)(O[5]C[5])(CH3){1|H<1>,1|O<2>}	H(CC[5]HH)	109.5325	0.267	2	109.5325	0.071	2	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]Au)(O[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]Au)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4845	0.023	2	109.4845	0.001	2	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]C)(O[5]Si[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]C)(O[5]Si[5])(CH3){2|C<4>,2|H<1>}	H(CC[5]HH)	106.0920	2.950	3	108.6900	6.793	9	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]C)(O[5]Si[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]C)(O[5]Si[5])(CH3){2|Si<4>,2|H<1>}	H(CC[5]HH)	109.9890	1.146	6	108.6900	6.793	9	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]Pd)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]Pd)(O[5]C[5])(CH3){4|H<1>}	H(CC[5]HH)	109.4874	0.041	5	109.4874	0.002	5	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4499	0.049	10	109.1458	24.480	13	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	108.1321	12.036	3	109.1458	24.480	13	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]Re)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	C[5](N[5]C[5]Re)(O[5]C[5])(CH3){4|H<1>}	H(CC[5]HH)	109.4823	0.028	3	109.4823	0.001	3	109.2829	6.198	58	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CH3){2|C<3>}	H(CC[5]HH)	109.4530	0.004	2	109.4530	0.000	2	109.4949	0.037	69	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5,6a]Os)(S[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5,6a]Os)(S[5]C[5,6a])(CH3){2|C<3>}	H(CC[5]HH)	109.4942	0.029	6	109.4942	0.001	6	109.4949	0.037	69	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5,6a]Pt)(S[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5,6a]Pt)(S[5]C[5,6a])(CH3){2|C<3>}	H(CC[5]HH)	109.4776	0.059	9	109.4776	0.004	9	109.4949	0.037	69	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5,6a]Zn)(S[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5,6a]Zn)(S[5]C[5,6a])(CH3){2|C<3>}	H(CC[5]HH)	109.4670	0.044	4	109.4670	0.002	4	109.4949	0.037	69	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5]Fe)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5]Fe)(S[5]C[5])(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4619	0.055	21	109.4619	0.003	21	109.4949	0.037	69	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5]H)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5]H)(S[5]C[5])(CH3){2|H<1>}	H(CC[5]HH)	109.4557	0.013	3	109.4557	0.000	3	109.4949	0.037	69	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5]Hg)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5]Hg)(S[5]C[5])(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4664	0.038	5	109.4664	0.001	5	109.4949	0.037	69	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5]O)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5]O)(S[5]C[5])(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	110.0350	0.853	3	110.0350	0.728	3	109.4949	0.037	69	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5]Pd)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5]Pd)(S[5]C[5])(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4692	0.057	6	109.4692	0.003	6	109.4949	0.037	69	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5]Ru)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]C[5]Ru)(S[5]C[5])(CH3){2|H<1>}	H(CC[5]HH)	109.4719	0.021	8	109.4719	0.000	8	109.4949	0.037	69	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5]Ni)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	C[5](N[5]N[5]Ni)(S[5]C[5])(CH3){1|S<2>}	H(CC[5]HH)	109.5095	0.013	2	109.5095	0.000	2	109.4949	0.037	69	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:P[5]-2:C-4:	C-4:	C(C[5]P[5]2)(H)3	C[5](P[5]C[5]W)(P[5]Ge[5])(CH3)	H(CC[5]HH)	C(C[5]P[5]2)(H)3	C[5](P[5]C[5]W)(P[5]Ge[5])(CH3){3|C<4>}	H(CC[5]HH)	109.4647	0.044	3	109.4647	0.002	3	109.4647	0.002	3	109.5398	0.701	2296	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:Br-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(Br)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH)	H(CC[5]BrH)	C(C[5]C[5,6a]C[5])(Br)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH){1|H<1>,2|C<3>}	H(CC[5]BrH)	108.5430	0.058	2	108.5430	0.003	2	108.5430	0.003	2	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:Cl-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(Cl)(H)2	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CClHH)	H(CC[5]ClH)	C(C[5]C[5]2)(Cl)(H)2	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CClHH){2|C<4>}	H(CC[5]ClH)	109.6757	0.066	3	109.6757	0.004	3	109.6757	0.004	3	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:Cl-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(Cl)(H)2	C[5](C[5]S[5]H)(N[5]C[5]H)(CClHH)	H(CC[5]ClH)	C(C[5]C[5]N[5])(Cl)(H)2	C[5](C[5]S[5]H)(N[5]C[5]H)(CClHH){1|N<3>}	H(CC[5]ClH)	109.2150	0.371	4	109.2150	0.138	4	109.2150	0.138	4	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:Cl-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(Cl)(H)2	C[5](N[5]C[5,6a]H)2(CClHH)	H(CC[5]ClH)	C(C[5]N[5]2)(Cl)(H)2	C[5](N[5]C[5,6a]H)2(CClHH){2|C<3>}	H(CC[5]ClH)	109.5290	0.119	2	109.5290	0.014	2	109.5879	0.037	7	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:Cl-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(Cl)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(CClHH)	H(CC[5]ClH)	C(C[5]N[5]2)(Cl)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(CClHH){1|C<4>}	H(CC[5]ClH)	109.6114	0.222	5	109.6114	0.049	5	109.5879	0.037	7	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	B[5]-3:B[5]-3:C-4:	C-4:	C(C[5]B[5]2)(H)3	C[5](B[5]C[6a]N[5])2(CH3)	H(CC[5]HH)	C(C[5]B[5]2)(H)3	C[5](B[5]C[6a]N[5])2(CH3){2|C<4>,4|C<3>}	H(CC[5]HH)	109.4836	0.040	9	109.4765	0.035	15	109.4765	0.035	15	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	B[5]-3:B[5]-3:C-4:	C-4:	C(C[5]B[5]2)(H)3	C[5](B[5]C[6a]N[5])2(CH3)	H(CC[5]HH)	C(C[5]B[5]2)(H)3	C[5](B[5]C[6a]N[5])2(CH3){6|C<3>}	H(CC[5]HH)	109.4660	0.309	6	109.4765	0.035	15	109.4765	0.035	15	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3){1|N<3>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4727	0.045	3	109.4727	0.002	3	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	H(CC[5]HH)	109.4680	0.004	2	109.4680	0.000	2	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]C)(CH3){2|Sn<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	110.8205	1.199	8	110.8205	1.438	8	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,5|H<1>}	H(CC[5]HH)	109.4597	0.046	3	109.4597	0.002	3	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4483	0.029	3	109.4483	0.001	3	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4707	0.013	3	109.4707	0.000	3	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,2|C<4>}	H(CC[5]HH)	111.6897	0.728	6	109.9685	0.982	27	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|S<1>,2|C<3>,3|C<4>}	H(CC[5]HH)	109.4686	0.030	5	109.9685	0.982	27	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,2|C<3>,3|C<4>}	H(CC[5]HH)	109.4634	0.036	5	109.9685	0.982	27	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,2|C<3>,3|C<4>}	H(CC[5]HH)	109.4887	0.066	6	109.9685	0.982	27	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	H(CC[5]HH)	109.4838	0.030	5	109.9685	0.982	27	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3){1|As<3>,1|N<3>,4|C<4>}	H(CC[5]HH)	111.7880	0.523	6	111.7880	0.273	6	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4577	0.038	3	109.4577	0.001	3	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5])(C[5]O[5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	111.3693	0.849	3	111.3693	0.721	3	110.1871	1.190	61	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]Co)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]Co)(CH3){1|B<4>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4737	0.037	6	109.4737	0.001	6	109.4737	0.001	6	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,5a]C[5,6])(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3)	H(CC[5]HH)	C(C[5]C[5,5a]C[5,6])(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3){2|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4403	0.026	3	109.4403	0.001	3	109.4403	0.001	3	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5a]C[5])(H)3	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5a]C[5])(H)3	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[5]HH)	109.4390	0.034	3	109.4390	0.001	3	109.4475	0.001	6	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5a]C[5])(H)3	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5a]C[5])(H)3	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4560	0.026	3	109.4560	0.001	3	109.4475	0.001	6	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[4,5,6,6]C[4,6,6])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[4,5,6,6]C[4,6,6])(C[5]O[5]O)(CH3){1|H<1>,4|C<4>}	H(CC[5]HH)	109.4665	0.029	4	109.4665	0.001	4	109.4665	0.001	4	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5,6])(H)3	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6])(H)3	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,5|C<3>}	H(CC[5]HH)	109.4720	0.021	3	109.4720	0.000	3	109.4720	0.000	3	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[3,5,6]C[3,6])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[3,5,6]C[3,6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	H(CC[5]HH)	109.4525	0.023	2	109.4525	0.001	2	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[3,6]C[5,6])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[3,6]C[5,6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	H(CC[5]HH)	109.4675	0.008	2	109.4675	0.000	2	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[4,5,6]C[6])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[4,5,6]C[6])(C[5]O[5]O)(CH3){2|H<1>,3|C<4>}	H(CC[5]HH)	109.4432	0.017	5	109.4432	0.000	5	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4517	0.051	3	109.4517	0.003	3	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4748	0.027	6	109.4748	0.001	6	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4900	0.000	1	109.4805	0.001	4	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3){2|H<1>,3|C<4>}	H(CC[5]HH)	109.4773	0.040	3	109.4805	0.001	4	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3){3|C<3>,3|C<4>}	H(CC[5]HH)	109.4730	0.029	4	109.4730	0.001	4	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	H(CC[5]HH)	109.4754	0.020	5	109.4754	0.000	5	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]B[6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]B[6])(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|F<1>}	H(CC[5]HH)	109.4645	0.028	6	109.4645	0.001	6	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[5]HH)	109.4746	0.047	5	109.4746	0.002	5	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[5]HH)	109.4843	0.032	3	109.4843	0.001	3	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	111.8343	1.296	3	111.8343	1.679	3	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4600	0.031	2	109.4405	0.001	4	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3){3|C<4>,3|H<1>}	H(CC[5]HH)	109.4210	0.007	2	109.4405	0.001	4	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4793	0.032	3	109.4749	0.001	14	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	H(CC[5]HH)	109.4709	0.038	8	109.4749	0.001	14	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	H(CC[5]HH)	109.4813	0.032	3	109.4749	0.001	14	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4897	0.056	6	109.4746	0.001	40	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.4763	0.045	3	109.4746	0.001	40	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	H(CC[5]HH)	109.4749	0.028	12	109.4746	0.001	40	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4693	0.039	19	109.4746	0.001	40	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]H)(CH3){1|C<3>,1|W<6>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4737	0.018	3	109.4737	0.000	3	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4797	0.028	3	109.4797	0.001	3	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3){1|Se<2>,3|C<4>}	H(CC[5]HH)	111.2360	3.384	3	111.2360	11.448	3	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4463	0.018	3	109.4463	0.000	3	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	H(CC[5]HH)	109.4799	0.030	8	109.4799	0.001	8	109.5691	0.410	126	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4705	0.018	2	109.4755	0.000	4	109.4666	0.000	7	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4805	0.005	2	109.4755	0.000	4	109.4666	0.000	7	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]N[5,6]C[6])(N[5]In[5]N)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]N[5,6]C[6])(N[5]In[5]N)(CH3){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	H(CC[5]HH)	109.4480	0.024	2	109.4480	0.001	2	109.4666	0.000	7	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]Zn)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]Zn)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4680	0.000	1	109.4680	0.000	1	109.4666	0.000	7	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5,5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	H(CC[5]HH)	109.4703	0.032	13	109.4703	0.001	13	109.4703	0.001	13	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5,6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4585	0.025	2	109.4585	0.001	2	109.4585	0.001	2	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(CC[5]HH)	109.4660	0.013	2	109.4575	0.000	6	109.5764	0.146	43	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	H(CC[5]HH)	109.4610	0.000	1	109.4575	0.000	6	109.5764	0.146	43	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|H<1>,1|N<3>,5|C<3>}	H(CC[5]HH)	109.4507	0.022	3	109.4575	0.000	6	109.5764	0.146	43	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3){1|H<1>,6|C<3>}	H(CC[5]HH)	109.5136	0.050	8	109.5136	0.002	8	109.5764	0.146	43	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Al<5>,1|Si<5>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.4690	0.024	4	109.6722	0.287	21	109.5764	0.146	43	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4693	0.021	3	109.6722	0.287	21	109.5764	0.146	43	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4630	0.014	2	109.6722	0.287	21	109.5764	0.146	43	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.9501	0.733	9	109.6722	0.287	21	109.5764	0.146	43	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,3|H<1>}	H(CC[5]HH)	109.4517	0.329	3	109.6722	0.287	21	109.5764	0.146	43	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4880	0.010	3	109.4880	0.000	3	109.5764	0.146	43	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4703	0.018	3	109.4706	0.000	5	109.5764	0.146	43	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4710	0.027	2	109.4706	0.000	5	109.5764	0.146	43	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3){1|Cl<1>,1|H<1>,4|C<3>}	H(CC[5]HH)	109.5056	0.039	5	109.4760	0.004	10	109.4771	0.003	44	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3){1|Ge<3>,1|H<1>,4|C<3>}	H(CC[5]HH)	109.4464	0.070	5	109.4760	0.004	10	109.4771	0.003	44	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Pd)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Pd)(CH3){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4943	0.023	3	109.4943	0.001	3	109.4771	0.003	44	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[3,5,5]C[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[3,5,5]C[6a])(CH3){1|C<4>,1|H<1>,1|H<2>,1|N<2>,1|N<3>,5|C<3>}	H(CC[5]HH)	109.4702	0.057	6	109.4702	0.003	6	109.4771	0.003	44	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C)(CH3){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(CC[5]HH)	109.4548	0.069	6	109.4548	0.005	6	109.4771	0.003	44	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	H(CC[5]HH)	109.4829	0.054	11	109.4851	0.002	16	109.4771	0.003	44	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<2>,5|C<3>}	H(CC[5]HH)	109.4898	0.044	5	109.4851	0.002	16	109.4771	0.003	44	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]N[5])(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]H)(CH3){1|Fe<5>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4797	0.012	3	109.4797	0.000	3	109.4771	0.003	44	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[5]HH)	109.4844	0.033	5	109.4732	0.002	10	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(CC[5]HH)	109.4620	0.054	5	109.4732	0.002	10	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]C)2(CH3){1|Ga<3>,2|C<4>}	H(CC[5]HH)	109.4263	0.018	3	109.4303	0.005	14	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]C)2(CH3){1|Ga<6>,2|C<4>}	H(CC[5]HH)	109.4890	0.049	2	109.4303	0.005	14	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]C)2(CH3){1|In<3>,2|C<4>}	H(CC[5]HH)	109.4186	0.080	9	109.4303	0.005	14	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]C[5])(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]C[5])(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	H(CC[5]HH)	109.4578	0.051	10	109.4578	0.003	10	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[3]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[3]P[5])(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|P<4>,1|W<6>,2|H<1>}	H(CC[5]HH)	109.4623	0.045	3	109.4623	0.002	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[3x5,6,6]O)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[3x5,6,6]O)2(CH3){4|C<4>}	H(CC[5]HH)	109.4905	0.012	2	109.4905	0.000	2	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[4,5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[4,5]C)2(CH3){1|Si<4>,3|C<4>}	H(CC[5]HH)	111.0447	0.931	3	111.0447	0.867	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4846	0.038	9	109.4846	0.001	9	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4995	0.022	2	109.4713	0.001	19	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(CC[5]HH)	109.4680	0.028	17	109.4713	0.001	19	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4790	0.035	3	109.4790	0.001	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)2(CH3){1|As<3>,1|Si<4>,1|C<4>}	H(CC[5]HH)	112.1100	2.513	6	110.4585	2.988	33	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)2(CH3){1|P<3>,2|C<4>}	H(CC[5]HH)	109.4778	0.084	4	110.4585	2.988	33	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	H(CC[5]HH)	109.4715	0.055	17	110.4585	2.988	33	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C)2(CH3){1|Si<4>,1|C<4>,1|P<3>}	H(CC[5]HH)	112.2570	1.248	6	110.4585	2.988	33	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	H(CC[5]HH)	112.1503	1.449	3	112.1503	2.099	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4645	0.033	2	109.4642	0.001	4	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4640	0.041	2	109.4642	0.001	4	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,2|O<2>}	H(CC[5]HH)	109.4653	0.024	3	109.4653	0.001	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]O)(C[5]O[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]O)(C[5]O[5]C)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4880	0.027	3	109.4880	0.001	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]O)(C[5]O[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]O)(C[5]O[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4470	0.029	5	109.4470	0.001	5	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]O)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]O)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4677	0.031	19	109.4677	0.001	19	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C)(C[5]O[5]O)(CH3){2|C<4>}	H(CC[5]HH)	109.4515	0.057	2	109.4515	0.003	2	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C)(C[5]P[5,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C)(C[5]P[5,6]C)(CH3){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4900	0.000	1	109.4900	0.000	1	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C)2(CH3){2|Se<2>,1|C<4>}	H(CC[5]HH)	107.2247	3.633	3	107.2247	13.200	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4680	0.006	3	109.4680	0.000	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]H)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4733	0.023	3	109.4733	0.001	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4583	0.010	3	109.6779	0.384	11	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	H(CC[5]HH)	109.7602	0.722	8	109.6779	0.384	11	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]O)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]O)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4525	0.005	2	109.4525	0.000	2	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]O)(C[5]O[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]O)(C[5]O[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.5017	0.023	3	109.5017	0.001	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CH3){2|C<4>}	H(CC[5]HH)	111.2567	2.291	3	111.2567	5.246	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){4|C<3>}	H(CC[5]HH)	109.4482	0.035	5	109.4482	0.001	5	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3){4|C<3>}	H(CC[5]HH)	109.5407	0.013	3	109.5407	0.000	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[5]HH)	109.4807	0.022	3	109.4757	0.000	9	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4817	0.011	3	109.4757	0.000	9	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	H(CC[5]HH)	109.4647	0.020	3	109.4757	0.000	9	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]Au)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]Au)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4240	0.037	3	109.4240	0.001	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]Br)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]Br)(C[5]N[5]O)(CH3){1|C<3>,1|O<2>,1|S<4>}	H(CC[5]HH)	109.4060	0.006	2	109.4060	0.000	2	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]Br)(C[5]O[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]Br)(C[5]O[5]C)(CH3){1|O<1>}	H(CC[5]HH)	109.4910	0.000	1	109.4910	0.000	1	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]Br)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]Br)(C[5]O[5]O)(CH3){1|C<3>}	H(CC[5]HH)	109.4945	0.073	15	109.4945	0.005	15	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|C<5>,2|H<1>}	H(CC[5]HH)	109.5027	0.020	3	109.4667	0.001	19	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4532	0.032	4	109.4667	0.001	19	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>}	H(CC[5]HH)	109.4710	0.022	3	109.4667	0.001	19	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|C<3>}	H(CC[5]HH)	109.4498	0.029	5	109.4667	0.001	19	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){3|C<4>}	H(CC[5]HH)	109.4710	0.018	4	109.4667	0.001	19	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4533	0.052	3	109.4533	0.003	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.5065	0.012	2	109.2779	0.695	24	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4390	0.048	3	109.2779	0.695	24	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4510	0.032	3	109.2779	0.695	24	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4860	0.082	3	109.2779	0.695	24	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4623	0.040	10	109.2779	0.695	24	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	H(CC[5]HH)	107.9687	2.244	3	109.2779	0.695	24	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4433	0.039	3	110.0420	3.710	25	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	H(CC[5]HH)	110.1236	2.045	22	110.0420	3.710	25	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	H(CC[5]HH)	109.4658	0.043	47	109.5729	0.349	71	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4547	0.202	3	109.5729	0.349	71	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|O<2>}	H(CC[5]HH)	109.4720	0.000	1	109.5729	0.349	71	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	110.0884	1.362	12	109.5729	0.349	71	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|Sm<14>,1|C<5>}	H(CC[5]HH)	109.4938	0.060	5	109.5729	0.349	71	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|Y<14>,1|C<5>}	H(CC[5]HH)	109.4737	0.025	3	109.5729	0.349	71	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	110.9953	0.364	3	111.0710	4.367	13	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	111.4991	2.551	8	111.0710	4.367	13	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4720	0.004	2	111.0710	4.367	13	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4570	0.022	7	109.6292	0.814	26	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>}	H(CC[5]HH)	110.6123	0.799	3	109.6292	0.814	26	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.6103	1.769	6	109.6292	0.814	26	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	H(CC[5]HH)	109.4690	0.146	3	109.6292	0.814	26	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|N<2>}	H(CC[5]HH)	109.4850	0.000	1	109.6292	0.814	26	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|O<1>}	H(CC[5]HH)	109.4613	0.011	6	109.6292	0.814	26	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4779	0.033	11	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4724	0.032	8	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|W<6>}	H(CC[5]HH)	109.4814	0.037	11	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4724	0.028	5	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>}	H(CC[5]HH)	109.4768	0.036	5	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pb<4>,1|C<4>}	H(CC[5]HH)	109.4680	0.036	4	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	H(CC[5]HH)	109.5042	0.031	10	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[5]HH)	109.4413	0.021	3	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	H(CC[5]HH)	109.4642	0.032	4	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Rh<8>,2|C<4>}	H(CC[5]HH)	109.4880	0.017	5	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Si<4>,1|C<3>}	H(CC[5]HH)	109.4789	0.103	8	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Sn<4>,1|C<3>}	H(CC[5]HH)	109.4707	0.047	3	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Tm<14>,1|C<4>}	H(CC[5]HH)	109.4752	0.044	6	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4888	0.022	5	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|Co<7>,1|C<4>}	H(CC[5]HH)	109.4750	0.014	4	109.4788	0.002	92	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<3>,1|C<4>,1|W<6>}	H(CC[5]HH)	109.4620	0.042	2	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4667	0.022	4	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<4>,1|H<1>,1|S<1>}	H(CC[5]HH)	110.1561	1.221	12	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Cl<1>,1|H<1>,1|W<6>}	H(CC[5]HH)	109.4788	0.020	5	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	H(CC[5]HH)	109.4628	0.036	5	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,1|S<2>,1|W<6>}	H(CC[5]HH)	109.4766	0.037	5	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4428	0.040	6	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>}	H(CC[5]HH)	109.4622	0.015	4	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[5]HH)	109.4526	0.058	17	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Pd<4>,2|C<3>}	H(CC[5]HH)	109.4845	0.008	2	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Ru<4>,1|C<3>,1|H<1>}	H(CC[5]HH)	109.4995	0.045	10	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|W<6>,2|C<3>}	H(CC[5]HH)	109.4727	0.048	10	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|C<3>}	H(CC[5]HH)	109.4725	0.030	6	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|Mn<6>,1|H<1>}	H(CC[5]HH)	109.5197	0.020	3	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|Ru<7>,1|C<3>}	H(CC[5]HH)	109.4457	0.027	3	109.5572	0.231	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Al<3>,2|C<4>}	H(CC[5]HH)	109.4704	0.037	7	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Al<4>,2|C<4>}	H(CC[5]HH)	109.4689	0.032	22	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Al<6>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4600	0.030	5	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|As<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4602	0.039	11	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|As<3>,2|C<4>}	H(CC[5]HH)	109.5022	0.045	9	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|B<3>,2|C<4>}	H(CC[5]HH)	109.4640	0.040	21	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|B<6>,2|C<4>}	H(CC[5]HH)	109.4652	0.065	19	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4566	0.028	5	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4984	0.036	5	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4653	0.019	3	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4868	0.055	13	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|H<1>,1|P<4>}	H(CC[5]HH)	109.4240	0.000	1	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|P<4>}	H(CC[5]HH)	110.0771	1.488	23	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Dy<15>,1|C<5>,1|H<2>}	H(CC[5]HH)	112.1993	1.364	6	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<2>,2|C<4>}	H(CC[5]HH)	109.4612	0.078	48	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	H(CC[5]HH)	109.4596	0.070	33	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,1|Si<4>,1|C<4>}	H(CC[5]HH)	111.1960	2.104	10	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	H(CC[5]HH)	109.4741	0.058	55	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4788	0.026	13	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Hg<2>,1|Si<4>,1|C<4>}	H(CC[5]HH)	109.4586	0.045	47	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|In<2>,2|C<4>}	H(CC[5]HH)	109.4475	0.043	12	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|In<4>,1|Si<4>,1|C<4>}	H(CC[5]HH)	109.4362	0.039	10	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|In<4>,2|C<4>}	H(CC[5]HH)	109.4676	0.059	10	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ir<6>,1|C<3>,1|C<4>}	H(CC[5]HH)	109.4403	0.039	3	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ir<7>,1|C<3>,1|C<4>}	H(CC[5]HH)	109.4586	0.073	5	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Lu<15>,1|C<5>,1|H<2>}	H(CC[5]HH)	109.4832	0.061	6	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|N<3>,2|C<4>}	H(CC[5]HH)	109.4907	0.018	4	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|O<3>,2|C<4>}	H(CC[5]HH)	109.4417	0.050	8	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	H(CC[5]HH)	109.4532	0.553	26	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	H(CC[5]HH)	109.4682	0.045	104	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Sb<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4739	0.036	10	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Sb<5>,1|Si<5>,1|C<4>}	H(CC[5]HH)	113.3057	0.585	6	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4730	0.010	3	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<3>,2|C<4>}	H(CC[5]HH)	110.6642	1.696	13	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4690	0.033	26	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>}	H(CC[5]HH)	109.4693	0.017	3	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	H(CC[5]HH)	109.5631	0.356	39	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<5>,2|C<4>}	H(CC[5]HH)	109.4852	0.023	6	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	H(CC[5]HH)	109.4774	0.046	41	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Zn<5>,2|C<4>}	H(CC[5]HH)	109.4835	0.019	2	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){2|C<4>,2|H<1>}	H(CC[5]HH)	113.0250	1.685	3	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){2|C<4>}	H(CC[5]HH)	109.5196	0.391	543	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){3|C<4>}	H(CC[5]HH)	111.7275	2.615	6	109.5817	0.414	1245	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3){1|Ir<6>,1|C<3>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.5080	0.042	3	109.4852	0.002	8	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3){1|Ir<7>,1|C<3>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.4716	0.043	5	109.4852	0.002	8	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4610	0.030	3	109.4751	0.001	21	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4890	0.024	3	109.4751	0.001	21	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4807	0.039	3	109.4751	0.001	21	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	H(CC[5]HH)	109.4703	0.028	3	109.4751	0.001	21	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4750	0.034	9	109.4751	0.001	21	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>}	H(CC[5]HH)	109.4565	0.006	2	109.4610	0.000	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4700	0.000	1	109.4610	0.000	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4870	0.024	2	110.1467	1.742	11	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	110.7117	1.625	6	110.1467	1.742	11	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4567	0.022	3	110.1467	1.742	11	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]C)(CH3){1|O<1>}	H(CC[5]HH)	109.4535	0.022	2	109.4535	0.000	2	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.5130	0.053	3	109.5878	1.414	106	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>}	H(CC[5]HH)	109.5459	0.410	38	109.5878	1.414	106	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.6022	0.642	31	109.5878	1.414	106	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	H(CC[5]HH)	109.4687	0.010	3	109.5878	1.414	106	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|H<1>,1|O<2>}	H(CC[5]HH)	109.4173	2.558	15	109.5878	1.414	106	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	H(CC[5]HH)	109.8556	1.561	16	109.5878	1.414	106	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]N)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]N)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4756	0.028	9	109.4756	0.001	9	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	111.1613	1.184	3	111.1613	1.402	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4550	0.008	2	109.4574	0.000	5	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4590	0.022	3	109.4574	0.000	5	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3){1|C<3>}	H(CC[5]HH)	110.2090	2.077	3	110.2090	4.314	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.5000	0.052	2	109.4620	0.002	5	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3){2|H<1>}	H(CC[5]HH)	109.4367	0.030	3	109.4620	0.002	5	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)2(CH3){4|H<1>}	H(CC[5]HH)	111.0867	1.301	4	111.0867	1.691	4	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|C<3>}	H(CC[5]HH)	109.4602	0.051	13	109.4675	0.002	29	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|O<2>,1|P<3>,2|C<3>}	H(CC[5]HH)	109.4920	0.032	8	109.4675	0.002	29	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,1|P<4>,2|C<3>}	H(CC[5]HH)	109.4549	0.046	8	109.4675	0.002	29	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]S[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]S[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]HH)	109.4887	0.015	3	109.4887	0.000	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5])(C[5]O[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5])(C[5]O[5]C)(CH3){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4644	0.016	5	109.4644	0.000	5	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3){1|N<3>,2|C<3>}	H(CC[5]HH)	109.4407	0.827	6	109.4407	0.684	6	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]O[5])(C[5]C[5,5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]O[5])(C[5]C[5,5]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4683	0.009	6	109.4683	0.000	6	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6]O[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6]O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4937	0.029	3	109.4937	0.001	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,3|C<3>}	H(CC[5]HH)	109.4573	0.019	4	109.4730	0.001	11	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4810	0.031	3	109.4730	0.001	11	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	H(CC[5]HH)	109.4827	0.020	4	109.4730	0.001	11	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){1|O<2>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4825	0.024	4	109.6391	2.477	9	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.9660	3.109	3	109.6391	2.477	9	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){3|C<3>,3|H<1>}	H(CC[5]HH)	109.4620	0.027	2	109.6391	2.477	9	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3){1|C<4>,4|C<3>}	H(CC[5]HH)	109.4310	0.042	2	109.4310	0.002	2	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CC[5]HH)	109.4980	0.007	2	109.4980	0.000	2	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4733	0.016	3	109.4733	0.000	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])2(CH3){1|O<1>,5|C<3>}	H(CC[5]HH)	109.4897	0.019	3	109.4897	0.000	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4333	0.027	3	109.4333	0.001	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])2(CH3){1|Cu<4>,1|H<1>,4|C<3>}	H(CC[5]HH)	109.4620	0.015	3	109.4620	0.000	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|S<1>,3|C<3>}	H(CC[5]HH)	109.4906	0.042	14	109.4734	0.002	40	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	H(CC[5]HH)	109.4728	0.042	9	109.4734	0.002	40	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,3|C<3>}	H(CC[5]HH)	109.4604	0.047	10	109.4734	0.002	40	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Sn<4>,3|C<3>}	H(CC[5]HH)	109.4710	0.037	2	109.4734	0.002	40	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	H(CC[5]HH)	109.4307	0.055	3	109.4734	0.002	40	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|Ru<7>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4865	0.059	2	109.4734	0.002	40	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	H(CC[5]HH)	109.5180	0.015	3	109.5180	0.000	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3){1|Re<6>,1|C<3>}	H(CC[5]HH)	109.4890	0.037	2	109.4890	0.001	2	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3){1|B<4>,1|W<7>}	H(CC[5]HH)	109.4734	0.054	30	109.4781	0.003	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3){1|Ca<6>,1|C<3>}	H(CC[5]HH)	109.4733	0.035	8	109.4781	0.003	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3){1|Co<4>,1|H<1>}	H(CC[5]HH)	109.4932	0.035	6	109.4781	0.003	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3){1|Cu<3>,1|C<4>}	H(CC[5]HH)	109.4746	0.075	18	109.4781	0.003	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3){1|Cu<4>,1|Pt<4>}	H(CC[5]HH)	109.4730	0.051	8	109.4781	0.003	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3){1|Mg<6>,1|C<3>}	H(CC[5]HH)	109.4900	0.028	3	109.4781	0.003	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3){1|Ni<6>,1|H<1>}	H(CC[5]HH)	109.4970	0.057	8	109.4781	0.003	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3){1|Re<5>}	H(CC[5]HH)	109.4640	0.040	3	109.4781	0.003	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3){1|Sr<6>,1|C<3>}	H(CC[5]HH)	109.4746	0.048	7	109.4781	0.003	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]C)2(CH3){2|Zn<5>}	H(CC[5]HH)	109.5017	0.074	3	109.4781	0.003	94	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]H)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]H)2(CH3){1|Fe<6>,1|C<3>}	H(CC[5]HH)	109.4455	0.020	6	109.4550	0.123	74	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]H)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]H)2(CH3){1|Ru<6>,1|H<1>}	H(CC[5]HH)	109.4654	0.031	7	109.4550	0.123	74	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]H)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]H)2(CH3){2|Pd<4>}	H(CC[5]HH)	109.4550	0.397	58	109.4550	0.123	74	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]H)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]H)2(CH3){2|Ru<6>}	H(CC[5]HH)	109.4487	0.023	3	109.4550	0.123	74	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(CC[5]HH)	109.4747	0.030	3	109.4747	0.001	3	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3){1|C<4>,1|P<3>,2|C<3>}	H(CC[5]HH)	109.4792	0.038	6	109.4792	0.001	6	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){1|Si<4>,2|C<4>}	H(CC[5]HH)	109.4362	0.051	10	109.4460	0.004	26	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){1|Si<4>}	H(CC[5]HH)	109.4095	0.046	6	109.4460	0.004	26	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){2|C<3>}	H(CC[5]HH)	109.4778	0.070	10	109.4460	0.004	26	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<4>,2|N<3>}	H(CC[5]HH)	109.4762	0.021	4	109.4762	0.000	4	109.5854	0.529	2344	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(CH3){1|O<2>,3|C<3>}	H(CC[5]HH)	109.4953	0.014	3	109.4953	0.000	3	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,5]C)(N[5]C[5]C)(CH3){1|O<1>,2|C<4>}	H(CC[5]HH)	109.4635	0.040	2	109.4635	0.002	2	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]S)(N[5]C[5,6]S)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]S)(N[5]C[5,6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4670	0.008	2	109.4670	0.000	2	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4931	0.341	60	109.4931	0.117	60	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3){1|Fe<4>,1|C<4>}	H(CC[5]HH)	109.4694	0.028	9	109.4702	0.001	12	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	H(CC[5]HH)	109.4723	0.042	3	109.4702	0.001	12	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4771	0.043	9	109.4707	0.002	14	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3){1|Cu<5>,1|C<4>}	H(CC[5]HH)	109.4592	0.058	5	109.4707	0.002	14	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4762	0.022	5	109.4654	0.001	15	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3){2|C<4>}	H(CC[5]HH)	109.4600	0.039	10	109.4654	0.001	15	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3){1|Cu<5>,1|C<4>}	H(CC[5]HH)	109.4682	0.044	8	109.4726	0.002	14	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3){1|Fe<5>,1|C<4>}	H(CC[5]HH)	109.4963	0.050	3	109.4726	0.002	14	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	H(CC[5]HH)	109.4607	0.039	3	109.4726	0.002	14	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]Pd)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Br)(N[5]N[5]Pd)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4820	0.061	3	109.4820	0.004	3	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4747	0.015	3	109.4678	0.001	15	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4670	0.055	3	109.4678	0.001	15	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,1|S<2>}	H(CC[5]HH)	109.4567	0.025	3	109.4678	0.001	15	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4627	0.012	3	109.4678	0.001	15	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|Se<2>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4780	0.041	3	109.4678	0.001	15	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.5295	1.413	6	109.5036	1.000	11	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4726	0.029	5	109.5036	1.000	11	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]Y)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]C[5]Y)(CH3){1|C<4>,1|C<5>}	H(CC[5]HH)	109.4710	0.031	3	109.4710	0.001	3	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	H(CC[5]HH)	109.4693	0.040	28	109.4730	0.002	67	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Co<6>,1|C<4>}	H(CC[5]HH)	109.4639	0.056	10	109.4730	0.002	67	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<4>}	H(CC[5]HH)	109.4684	0.047	8	109.4730	0.002	67	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Mo<6>,1|C<4>}	H(CC[5]HH)	109.4960	0.046	11	109.4730	0.002	67	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	H(CC[5]HH)	109.4612	0.029	6	109.4730	0.002	67	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Sm<6>,1|C<4>}	H(CC[5]HH)	109.4847	0.027	4	109.4730	0.002	67	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	H(CC[5]HH)	109.4755	0.021	6	109.4731	0.003	56	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Ca<6>,1|C<4>}	H(CC[5]HH)	109.4682	0.049	12	109.4731	0.003	56	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	H(CC[5]HH)	109.4832	0.076	21	109.4731	0.003	56	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	H(CC[5]HH)	109.4657	0.028	3	109.4731	0.003	56	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Sr<6>,1|C<4>}	H(CC[5]HH)	109.4679	0.046	8	109.4731	0.003	56	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4558	0.026	6	109.4731	0.003	56	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4673	0.031	3	109.9069	1.401	173	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<3>,1|O<2>}	H(CC[5]HH)	109.4687	0.017	3	109.9069	1.401	173	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.9656	1.251	121	109.9069	1.401	173	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|O<2>}	H(CC[5]HH)	109.4710	0.018	4	109.9069	1.401	173	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Cd<6>,1|H<1>}	H(CC[5]HH)	109.4907	0.029	3	109.9069	1.401	173	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	H(CC[5]HH)	109.4828	0.040	9	109.9069	1.401	173	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Co<6>,1|H<1>}	H(CC[5]HH)	109.4220	0.050	3	109.9069	1.401	173	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<4>}	H(CC[5]HH)	109.4584	0.035	8	109.9069	1.401	173	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	H(CC[5]HH)	110.3922	1.619	17	109.9069	1.401	173	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|N<3>}	H(CC[5]HH)	109.4745	0.019	2	109.9069	1.401	173	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4655	0.035	26	109.4655	0.001	26	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]O[5]O)(CH3){2|H<1>}	H(CC[5]HH)	109.4930	0.008	2	109.4930	0.000	2	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	H(CC[5]HH)	109.4623	0.028	3	109.4567	0.006	17	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	H(CC[5]HH)	109.4749	0.032	9	109.4567	0.006	17	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<4>}	H(CC[5]HH)	109.4206	0.137	5	109.4567	0.006	17	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	H(CC[5]HH)	109.4685	0.045	2	109.4685	0.002	2	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4510	0.041	2	109.4482	0.001	5	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3){2|C<4>}	H(CC[5]HH)	109.4463	0.037	3	109.4482	0.001	5	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	H(CC[5]HH)	109.4660	0.028	3	109.4660	0.001	3	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]Ni)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]Ni)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4807	0.036	10	109.4807	0.001	10	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]Rh)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]Rh)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4740	0.261	6	109.4740	0.068	6	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Cl)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4463	0.055	3	109.4463	0.003	3	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4675	0.037	2	109.4675	0.001	2	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5]W)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4737	0.033	6	109.4737	0.001	6	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<1>,1|W<7>}	H(CC[5]HH)	109.4877	0.022	3	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4053	0.476	21	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|U<8>}	H(CC[5]HH)	109.4886	0.051	10	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<6>}	H(CC[5]HH)	109.5616	0.463	864	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	H(CC[5]HH)	109.4641	0.211	235	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<8>}	H(CC[5]HH)	111.2218	3.069	12	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<4>,1|C<4>}	H(CC[5]HH)	109.4690	0.034	14	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<5>,1|C<3>}	H(CC[5]HH)	109.4522	0.113	57	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<5>,1|C<4>}	H(CC[5]HH)	109.4695	0.035	11	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<6>,1|C<4>}	H(CC[5]HH)	109.4623	0.047	15	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cr<4>,1|C<4>}	H(CC[5]HH)	109.4812	0.029	13	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cr<5>,1|C<4>}	H(CC[5]HH)	109.4786	0.036	16	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cr<6>,1|C<4>}	H(CC[5]HH)	109.4732	0.028	5	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cu<4>,1|C<3>}	H(CC[5]HH)	109.4656	0.041	8	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cu<4>,1|C<4>}	H(CC[5]HH)	109.8118	0.681	25	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Eu<6>,1|C<4>}	H(CC[5]HH)	109.5337	2.223	3	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<3>,1|C<3>}	H(CC[5]HH)	109.4653	0.025	3	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<4>,1|C<3>}	H(CC[5]HH)	109.4984	0.021	5	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<5>,1|C<3>}	H(CC[5]HH)	109.4704	0.046	27	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<5>,1|C<4>}	H(CC[5]HH)	109.4567	0.034	6	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<3>}	H(CC[5]HH)	109.4816	0.041	8	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<4>}	H(CC[5]HH)	109.4684	0.046	134	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<6>,1|C<4>}	H(CC[5]HH)	109.4771	0.054	328	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<7>,1|C<4>}	H(CC[5]HH)	109.4517	0.124	22	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<8>,1|C<4>}	H(CC[5]HH)	109.4669	0.058	7	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Li<4>,1|C<4>}	H(CC[5]HH)	109.4573	0.053	6	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mg<4>,1|C<4>}	H(CC[5]HH)	109.4802	0.050	30	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<3>,1|C<3>}	H(CC[5]HH)	109.4790	0.029	3	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<4>,1|C<3>}	H(CC[5]HH)	109.4699	0.021	14	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<5>,1|C<3>}	H(CC[5]HH)	109.4788	0.057	6	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<6>,1|C<4>}	H(CC[5]HH)	109.4873	0.036	20	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<6>,1|C<4>}	H(CC[5]HH)	109.6152	0.697	351	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<7>,1|C<4>}	H(CC[5]HH)	109.5201	0.456	51	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<8>,1|C<4>}	H(CC[5]HH)	109.4761	0.207	8	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<3>,1|C<3>}	H(CC[5]HH)	109.4700	0.014	2	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<4>,1|C<3>}	H(CC[5]HH)	109.4707	0.080	63	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<4>,1|C<4>}	H(CC[5]HH)	109.4733	0.038	22	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<5>,1|C<3>}	H(CC[5]HH)	109.6468	0.755	70	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<5>,1|C<4>}	H(CC[5]HH)	109.4709	0.039	31	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<3>}	H(CC[5]HH)	109.4764	0.279	24	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	H(CC[5]HH)	109.4552	0.046	38	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<7>,1|C<4>}	H(CC[5]HH)	111.1613	2.543	13	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pd<4>,1|C<4>}	H(CC[5]HH)	109.4720	0.069	22	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pd<5>,1|C<4>}	H(CC[5]HH)	109.4547	0.037	4	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pd<6>,1|C<4>}	H(CC[5]HH)	109.4806	0.036	16	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<4>,1|C<4>}	H(CC[5]HH)	109.4766	0.388	53	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<5>,1|C<4>}	H(CC[5]HH)	109.4833	0.425	6	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<6>,1|C<4>}	H(CC[5]HH)	109.5044	0.497	16	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Re<6>,1|C<4>}	H(CC[5]HH)	109.4927	0.073	7	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<3>}	H(CC[5]HH)	109.4890	0.049	6	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<4>}	H(CC[5]HH)	109.4661	0.050	34	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<5>,1|C<4>}	H(CC[5]HH)	109.4832	0.038	16	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<6>,1|C<4>}	H(CC[5]HH)	109.4671	0.172	309	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Sm<6>,1|C<4>}	H(CC[5]HH)	109.4843	2.185	3	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Sm<7>,1|C<4>}	H(CC[5]HH)	109.4812	0.038	9	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ta<6>,1|C<4>}	H(CC[5]HH)	109.4394	0.070	16	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ta<7>,1|C<4>}	H(CC[5]HH)	109.4686	0.035	13	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ta<8>,1|C<4>}	H(CC[5]HH)	109.4974	0.058	7	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ti<6>,1|C<4>}	H(CC[5]HH)	109.4396	0.034	8	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Y<12>,1|C<4>}	H(CC[5]HH)	109.4923	0.037	9	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<3>,1|C<3>}	H(CC[5]HH)	109.4690	0.039	3	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<4>,1|C<3>}	H(CC[5]HH)	110.0580	1.709	106	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<4>,1|C<4>}	H(CC[5]HH)	109.4662	0.047	43	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<5>,1|C<3>}	H(CC[5]HH)	109.4716	0.789	159	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zr<11>,1|C<4>}	H(CC[5]HH)	109.4500	0.042	6	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){2|C<4>}	H(CC[5]HH)	109.4957	0.037	3	109.5443	0.338	3478	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Al<4>,1|C<4>}	H(CC[5]HH)	109.4682	0.042	17	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.5003	0.034	3	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4735	0.060	6	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|V<6>}	H(CC[5]HH)	109.4574	0.046	5	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|W<6>}	H(CC[5]HH)	109.4613	0.041	10	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|W<7>}	H(CC[5]HH)	109.5122	0.049	5	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ca<6>,1|C<4>}	H(CC[5]HH)	109.4667	0.196	8	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	H(CC[5]HH)	109.4132	0.616	20	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<6>,1|C<4>}	H(CC[5]HH)	109.4809	0.035	18	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<7>,1|C<3>}	H(CC[5]HH)	109.4628	0.057	6	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<4>,1|C<4>}	H(CC[5]HH)	109.4786	0.045	23	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<5>,1|C<4>}	H(CC[5]HH)	109.4646	0.044	56	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	H(CC[5]HH)	109.4655	0.693	32	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cr<6>,1|C<4>}	H(CC[5]HH)	109.4695	0.073	49	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	H(CC[5]HH)	109.4776	0.097	25	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	H(CC[5]HH)	109.4701	0.091	117	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<3>}	H(CC[5]HH)	109.4772	0.031	5	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	H(CC[5]HH)	109.4732	0.052	62	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<6>,1|C<4>}	H(CC[5]HH)	109.4740	0.028	3	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Er<12>,1|C<4>}	H(CC[5]HH)	109.4683	0.026	7	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<4>,1|C<4>}	H(CC[5]HH)	109.4545	0.057	11	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	H(CC[5]HH)	109.4584	0.016	7	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|C<4>}	H(CC[5]HH)	109.5856	0.459	135	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	H(CC[5]HH)	109.4689	0.043	27	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ga<5>,1|C<4>}	H(CC[5]HH)	109.4605	0.036	6	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<4>,1|C<4>}	H(CC[5]HH)	109.4530	0.047	6	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	H(CC[5]HH)	109.4696	0.044	55	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<8>,1|C<4>}	H(CC[5]HH)	109.4667	0.049	9	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<3>,1|C<4>}	H(CC[5]HH)	109.4920	0.027	2	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<4>,1|C<4>}	H(CC[5]HH)	109.4661	0.038	20	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<8>,1|C<4>}	H(CC[5]HH)	109.4744	0.031	5	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<4>,1|C<4>}	H(CC[5]HH)	109.4807	0.122	23	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<5>,1|C<4>}	H(CC[5]HH)	109.4518	0.307	6	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	H(CC[5]HH)	109.4439	0.694	17	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<8>,1|C<4>}	H(CC[5]HH)	109.4891	0.040	10	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	H(CC[5]HH)	110.1671	1.440	49	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<6>,1|C<4>}	H(CC[5]HH)	109.7957	1.584	85	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<7>,1|C<4>}	H(CC[5]HH)	109.4600	0.027	3	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	H(CC[5]HH)	109.4756	0.037	26	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<5>,1|C<4>}	H(CC[5]HH)	109.4681	0.025	7	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	H(CC[5]HH)	109.5013	0.917	82	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<3>}	H(CC[5]HH)	109.4672	0.041	21	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	H(CC[5]HH)	109.4663	0.048	206	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<6>,1|C<4>}	H(CC[5]HH)	109.4728	0.044	26	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<8>,1|C<4>}	H(CC[5]HH)	109.4884	0.024	5	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<4>,1|C<4>}	H(CC[5]HH)	109.4977	0.014	3	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<6>,1|C<4>}	H(CC[5]HH)	109.4689	0.042	27	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<7>,1|C<4>}	H(CC[5]HH)	109.4534	0.052	9	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<3>}	H(CC[5]HH)	109.5032	0.065	5	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<4>}	H(CC[5]HH)	109.4708	0.051	81	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|H<1>}	H(CC[5]HH)	109.4575	0.028	6	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<7>,1|C<4>}	H(CC[5]HH)	109.4373	0.022	3	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<9>,1|C<4>}	H(CC[5]HH)	109.4738	0.045	32	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sc<6>,1|C<4>}	H(CC[5]HH)	109.4770	0.349	3	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sm<6>,1|C<4>}	H(CC[5]HH)	109.5047	0.043	6	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sm<7>,1|C<4>}	H(CC[5]HH)	109.4506	0.046	8	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ti<6>,1|C<4>}	H(CC[5]HH)	109.5290	0.236	22	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Y<12>,1|C<4>}	H(CC[5]HH)	109.4735	0.071	12	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	H(CC[5]HH)	109.4721	0.132	157	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<5>,1|C<4>}	H(CC[5]HH)	109.4588	0.041	4	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<6>,1|C<4>}	H(CC[5]HH)	109.4776	0.019	5	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zr<10>,1|C<4>}	H(CC[5]HH)	109.4970	0.070	10	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4770	0.034	5	109.5166	0.276	1724	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ag<5>,1|C<3>}	H(CC[5]HH)	109.4586	0.051	5	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4844	0.479	19	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4717	0.024	6	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.6075	0.476	65	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<4>,1|W<6>}	H(CC[5]HH)	109.4707	0.043	6	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cd<5>,1|C<4>}	H(CC[5]HH)	109.4970	0.039	3	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	H(CC[5]HH)	109.4931	0.054	20	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<6>,1|C<3>}	H(CC[5]HH)	109.5160	0.014	2	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<6>,1|C<4>}	H(CC[5]HH)	109.4846	0.031	7	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<4>,1|C<4>}	H(CC[5]HH)	109.4478	0.056	12	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<5>,1|C<3>}	H(CC[5]HH)	109.4693	0.048	3	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<5>,1|C<4>}	H(CC[5]HH)	109.4775	0.160	25	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Eu<13>,1|C<3>}	H(CC[5]HH)	109.4957	2.684	6	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Fe<4>,1|C<4>}	H(CC[5]HH)	109.4740	0.025	5	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<3>}	H(CC[5]HH)	109.4947	0.046	13	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|H<1>,1|N<3>}	H(CC[5]HH)	109.4889	0.032	11	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ir<6>,1|C<4>}	H(CC[5]HH)	109.4781	0.034	9	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Li<4>,1|C<4>}	H(CC[5]HH)	109.4583	0.049	3	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|C<3>}	H(CC[5]HH)	109.4700	0.066	36	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|C<4>}	H(CC[5]HH)	109.4711	0.042	8	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|H<1>}	H(CC[5]HH)	109.5070	0.022	4	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mo<6>,1|C<4>}	H(CC[5]HH)	109.5004	0.042	9	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mo<7>,1|C<4>}	H(CC[5]HH)	109.4540	0.043	3	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mo<7>,1|H<1>}	H(CC[5]HH)	109.4904	0.036	5	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<3>}	H(CC[5]HH)	109.4698	0.038	4	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<4>}	H(CC[5]HH)	109.4832	0.046	13	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|H<1>}	H(CC[5]HH)	109.4922	0.032	5	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Os<6>,1|C<4>}	H(CC[5]HH)	109.4780	0.034	6	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Os<6>,1|H<1>}	H(CC[5]HH)	109.4467	0.013	3	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	H(CC[5]HH)	109.4777	0.041	24	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Pt<4>,1|C<4>}	H(CC[5]HH)	109.4735	0.044	6	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Re<5>,1|C<4>}	H(CC[5]HH)	109.4618	0.055	5	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Re<6>,1|C<4>}	H(CC[5]HH)	109.4762	0.044	23	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Rh<6>,1|C<4>}	H(CC[5]HH)	109.4830	0.032	3	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ru<5>,1|C<4>}	H(CC[5]HH)	109.4250	0.024	3	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ru<6>,1|C<4>}	H(CC[5]HH)	109.4622	0.041	10	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ru<9>,1|C<4>}	H(CC[5]HH)	112.1515	3.304	6	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Sm<13>,1|C<3>}	H(CC[5]HH)	108.5317	3.917	6	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	H(CC[5]HH)	108.9770	1.438	50	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4576	0.054	5	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){2|H<1>}	H(CC[5]HH)	109.4865	0.054	17	109.4647	0.741	474	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3){1|Cu<4>,1|C<4>}	H(CC[5]HH)	109.4410	0.057	8	109.4345	0.004	15	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3){1|Pd<5>,1|C<4>}	H(CC[5]HH)	109.4270	0.068	7	109.4345	0.004	15	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4746	0.065	13	109.4678	0.004	44	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3){1|B<5>,1|H<1>}	H(CC[5]HH)	109.4576	0.076	5	109.4678	0.004	44	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3){1|C<4>}	H(CC[5]HH)	109.4663	0.059	26	109.4678	0.004	44	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4823	0.036	10	109.4729	0.002	15	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3){2|C<4>}	H(CC[5]HH)	109.4540	0.053	5	109.4729	0.002	15	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|B<3>,1|C<4>}	H(CC[5]HH)	109.4575	0.042	13	109.5714	0.320	1161	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.5752	0.576	1119	109.5714	0.320	1161	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4682	0.037	5	109.5714	0.320	1161	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|C<4>,1|W<5>}	H(CC[5]HH)	109.4821	0.054	8	109.5714	0.320	1161	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){2|C<4>}	H(CC[5]HH)	109.4715	0.047	16	109.5714	0.320	1161	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4662	0.033	6	109.4771	0.003	42	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){1|B<5>,1|C<4>}	H(CC[5]HH)	109.4696	0.053	12	109.4771	0.003	42	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){1|B<5>,1|H<1>}	H(CC[5]HH)	109.4854	0.036	5	109.4771	0.003	42	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){2|C<4>}	H(CC[5]HH)	109.4832	0.060	19	109.4771	0.003	42	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]I)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]I)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	H(CC[5]HH)	109.4780	0.000	1	109.4780	0.000	1	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	H(CC[5]HH)	109.4709	0.051	26	109.4691	0.002	34	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4631	0.033	8	109.4691	0.002	34	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	H(CC[5]HH)	109.4720	0.028	5	109.4720	0.001	5	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3){1|Co<6>,1|H<1>,2|N<3>}	H(CC[5]HH)	109.4930	0.035	3	109.4918	0.001	6	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3){1|Ni<6>,1|H<1>,2|N<3>}	H(CC[5]HH)	109.4907	0.013	3	109.4918	0.001	6	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]O)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]O)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	H(CC[5]HH)	109.4715	0.030	2	109.4715	0.001	2	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Pd)(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]Pd)(N[5]N[5]C)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4922	0.063	5	109.4922	0.004	5	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	H(CC[5]HH)	109.5040	0.011	3	109.5051	0.172	13	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3){1|Re<6>,1|C<4>}	H(CC[5]HH)	109.5054	0.479	10	109.5051	0.172	13	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]S[5])(N[5]C[5]Mn)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]S[5])(N[5]C[5]Mn)(CH3){1|C<4>,2|C<3>}	H(CC[5]HH)	109.4727	0.014	3	109.4727	0.000	3	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|O<2>}	H(CC[5]HH)	109.4090	1.586	3	109.4090	2.515	3	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CH3){2|N<2>}	H(CC[5]HH)	109.4610	0.021	2	109.4610	0.000	2	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]S[5])(N[5]C[5]Ru)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]S[5])(N[5]C[5]Ru)(CH3){1|S<2>,2|C<3>}	H(CC[5]HH)	109.6153	0.181	3	109.6153	0.033	3	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4800	0.023	3	109.4800	0.001	3	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4633	0.036	4	109.4802	0.002	10	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Co<6>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.4783	0.049	3	109.4802	0.002	10	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.5047	0.052	3	109.4802	0.002	10	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4610	0.028	2	109.4608	0.004	19	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.4608	0.069	17	109.4608	0.004	19	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(CH3){1|H<1>,1|S<1>,4|C<3>}	H(CC[5]HH)	109.4700	0.045	2	109.4700	0.002	2	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]S[5])(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]S[5])(N[5]C[5]H)(CH3){1|S<1>,2|C<3>}	H(CC[5]HH)	109.4690	0.045	3	109.4690	0.002	3	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3){1|S<1>,2|C<3>}	H(CC[5]HH)	109.8890	1.675	3	109.6792	1.176	6	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3){3|C<3>}	H(CC[5]HH)	109.4693	0.027	3	109.6792	1.176	6	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(CH3){4|C<3>}	H(CC[5]HH)	109.4840	0.035	3	109.4840	0.001	3	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3){2|C<3>}	H(CC[5]HH)	109.4596	0.036	7	109.4596	0.001	7	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4771	0.063	9	109.4771	0.004	9	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<3>,1|C<4>}	H(CC[5]HH)	109.4728	0.040	19	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<4>,1|C<4>}	H(CC[5]HH)	109.4591	0.039	36	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|As<2>,1|C<4>}	H(CC[5]HH)	109.4760	0.036	5	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|As<3>,1|C<4>}	H(CC[5]HH)	109.4765	0.019	2	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	H(CC[5]HH)	109.4748	0.033	69	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.5151	0.623	77	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|H<1>}	H(CC[5]HH)	109.4857	0.042	6	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<5>,1|C<4>}	H(CC[5]HH)	109.4755	0.015	10	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Be<3>,1|C<4>}	H(CC[5]HH)	111.0171	6.924	11	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	108.0707	5.398	6	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.5207	0.445	68	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.5310	0.000	1	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.7822	1.468	73	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|I<1>}	H(CC[5]HH)	109.4797	2.290	12	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<2>}	H(CC[5]HH)	109.6997	1.218	78	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	H(CC[5]HH)	109.4694	0.039	190	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<2>}	H(CC[5]HH)	109.4694	0.034	71	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<3>}	H(CC[5]HH)	109.4612	0.034	42	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<4>}	H(CC[5]HH)	109.4748	0.058	10	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<1>}	H(CC[5]HH)	109.4587	0.027	3	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<2>}	H(CC[5]HH)	109.6804	0.801	37	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	H(CC[5]HH)	109.4764	0.024	10	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Cl<1>,1|C<4>}	H(CC[5]HH)	109.2542	1.532	6	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<3>,1|C<4>}	H(CC[5]HH)	109.4679	0.053	14	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<4>,1|C<4>}	H(CC[5]HH)	109.4756	0.041	108	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Cu<3>,1|C<4>}	H(CC[5]HH)	109.4813	0.029	4	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<3>,1|C<4>}	H(CC[5]HH)	109.4740	0.056	24	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<4>,1|C<4>}	H(CC[5]HH)	109.5952	0.650	184	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<5>,1|C<4>}	H(CC[5]HH)	109.4817	0.036	7	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<6>,1|C<4>}	H(CC[5]HH)	109.4662	0.021	5	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<7>,1|C<4>}	H(CC[5]HH)	109.4675	0.153	24	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<8>,1|C<4>}	H(CC[5]HH)	109.4685	0.312	16	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<9>,1|C<4>}	H(CC[5]HH)	109.4857	0.136	7	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ga<4>,1|C<4>}	H(CC[5]HH)	109.4642	0.041	52	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	H(CC[5]HH)	109.4974	0.295	93	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	H(CC[5]HH)	109.6768	0.815	56	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<5>,1|C<4>}	H(CC[5]HH)	109.4691	0.022	7	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<6>,1|C<3>}	H(CC[5]HH)	109.4507	0.026	3	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<7>,1|C<4>}	H(CC[5]HH)	109.4557	0.080	11	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	H(CC[5]HH)	109.4894	0.444	44	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<9>,1|C<4>}	H(CC[5]HH)	109.4646	0.045	10	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<3>,1|C<4>}	H(CC[5]HH)	109.4704	0.033	15	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<4>,1|C<4>}	H(CC[5]HH)	109.4662	0.029	6	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<4>,1|C<4>}	H(CC[5]HH)	109.4572	0.209	28	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<8>,1|C<4>}	H(CC[5]HH)	109.4682	0.021	5	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mo<6>,1|C<4>}	H(CC[5]HH)	109.4708	0.052	11	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<3>,1|C<4>}	H(CC[5]HH)	109.4934	0.074	8	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<4>,1|C<4>}	H(CC[5]HH)	109.4717	0.039	108	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<5>,1|C<4>}	H(CC[5]HH)	109.1940	1.667	6	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<3>}	H(CC[5]HH)	109.4650	0.026	5	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	H(CC[5]HH)	109.7917	0.622	16	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<3>}	H(CC[5]HH)	109.4683	0.033	10	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<4>}	H(CC[5]HH)	109.4548	0.230	11	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<7>,1|C<4>}	H(CC[5]HH)	109.4586	0.042	5	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pt<4>,1|C<4>}	H(CC[5]HH)	109.4655	0.040	16	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Re<6>,1|C<4>}	H(CC[5]HH)	109.4779	0.055	20	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<4>,1|C<4>}	H(CC[5]HH)	109.4495	0.045	23	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<6>,1|C<4>}	H(CC[5]HH)	109.4644	0.057	9	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<5>,1|C<4>}	H(CC[5]HH)	109.4780	0.043	57	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	H(CC[5]HH)	109.4676	0.044	44	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|H<1>}	H(CC[5]HH)	109.4477	0.008	3	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	H(CC[5]HH)	109.4646	0.046	42	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<9>,1|C<4>}	H(CC[5]HH)	109.4647	0.072	6	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Se<2>,1|C<4>}	H(CC[5]HH)	109.4701	0.043	7	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	H(CC[5]HH)	109.5232	0.396	79	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	H(CC[5]HH)	109.4743	0.034	133	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	H(CC[5]HH)	109.4631	0.049	10	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<2>,1|C<4>}	H(CC[5]HH)	109.4836	0.036	10	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<3>,1|C<4>}	H(CC[5]HH)	109.4645	0.053	11	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<12>,1|C<4>}	H(CC[5]HH)	109.4750	0.027	6	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<6>,1|C<4>}	H(CC[5]HH)	109.4814	0.039	14	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Zn<4>,1|C<4>}	H(CC[5]HH)	109.4815	0.040	4	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.5329	0.779	58	109.5189	0.560	2297	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Ag<3>,1|H<1>}	H(CC[5]HH)	109.4853	0.084	3	109.4255	0.158	75	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|C<4>,1|O<2>}	H(CC[5]HH)	108.8737	1.053	6	109.4255	0.158	75	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Cu<5>,1|H<1>}	H(CC[5]HH)	109.4969	0.711	9	109.4255	0.158	75	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Fe<6>,1|H<1>}	H(CC[5]HH)	109.4885	0.046	6	109.4255	0.158	75	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Mn<6>,1|C<4>}	H(CC[5]HH)	109.4779	0.038	11	109.4255	0.158	75	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Mn<6>,1|H<1>}	H(CC[5]HH)	109.4620	0.047	12	109.4255	0.158	75	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Ni<6>,1|H<1>}	H(CC[5]HH)	109.4598	0.035	6	109.4255	0.158	75	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Ru<6>,1|C<4>}	H(CC[5]HH)	109.4420	0.023	3	109.4255	0.158	75	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Zn<6>,1|C<3>}	H(CC[5]HH)	109.4788	0.043	8	109.4255	0.158	75	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4870	0.021	2	109.4255	0.158	75	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|H<1>}	H(CC[5]HH)	109.4579	0.048	9	109.4255	0.158	75	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]O[5]O)(CH3)	H(CC[5]HH)	109.4607	0.034	24	109.4607	0.001	24	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|B<4>,1|H<1>}	H(CC[5]HH)	109.4485	0.008	2	109.5280	0.258	102	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4703	0.043	3	109.5280	0.258	102	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Cu<4>,1|H<1>}	H(CC[5]HH)	109.4780	0.032	3	109.5280	0.258	102	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Cu<5>,1|C<4>}	H(CC[5]HH)	109.4770	0.033	5	109.5280	0.258	102	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Fe<6>,1|H<1>}	H(CC[5]HH)	109.4680	0.023	3	109.5280	0.258	102	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Ni<6>,1|H<1>}	H(CC[5]HH)	109.4952	0.034	6	109.5280	0.258	102	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Ru<6>,1|H<1>}	H(CC[5]HH)	109.5075	0.023	2	109.5280	0.258	102	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4710	0.011	2	109.5280	0.258	102	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){2|H<1>}	H(CC[5]HH)	109.5446	0.589	76	109.5280	0.258	102	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]O[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]O[5]C)(N[5]C[5]H)(CH3){1|S<1>}	H(CC[5]HH)	109.4790	0.048	5	109.4790	0.002	5	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|C<3>}	H(CC[5]HH)	109.4657	0.038	9	109.7529	2.587	63	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|C<4>}	H(CC[5]HH)	109.4927	0.061	3	109.7529	2.587	63	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	H(CC[5]HH)	109.8837	1.940	43	109.7529	2.587	63	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|N<2>}	H(CC[5]HH)	109.4790	0.008	3	109.7529	2.587	63	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|P<2>}	H(CC[5]HH)	109.4710	0.000	1	109.7529	2.587	63	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|P<4>}	H(CC[5]HH)	109.4645	0.036	4	109.7529	2.587	63	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|N<3>}	H(CC[5]HH)	109.4607	0.015	9	109.4645	0.000	10	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|S<1>}	H(CC[5]HH)	109.4990	0.000	1	109.4645	0.000	10	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3){1|C<4>}	H(CC[5]HH)	110.0120	1.436	3	109.7924	1.121	5	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3){1|S<1>}	H(CC[5]HH)	109.4630	0.035	2	109.7924	1.121	5	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]B)(CH3){1|S<2>}	H(CC[5]HH)	109.4710	0.052	8	109.4710	0.003	8	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|C<3>}	H(CC[5]HH)	109.4377	0.068	3	109.4613	0.004	21	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<1>}	H(CC[5]HH)	109.4583	0.044	9	109.4613	0.004	21	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<2>}	H(CC[5]HH)	109.4780	0.147	3	109.4613	0.004	21	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<3>}	H(CC[5]HH)	109.4693	0.034	6	109.4613	0.004	21	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]H)(CH3){1|N<3>}	H(CC[5]HH)	109.4561	0.030	17	109.4624	0.001	21	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]H)(CH3){1|S<2>}	H(CC[5]HH)	109.4892	0.024	4	109.4624	0.001	21	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3){1|S<1>}	H(CC[5]HH)	110.6238	1.597	6	110.3336	2.110	8	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3){1|S<2>}	H(CC[5]HH)	109.4630	0.028	2	110.3336	2.110	8	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]W)(CH3){1|C<4>}	H(CC[5]HH)	109.4723	0.035	6	109.4806	0.001	9	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]S[5]H)(N[5]C[5]W)(CH3){1|S<2>}	H(CC[5]HH)	109.4970	0.019	3	109.4806	0.001	9	109.5356	0.408	10272	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(P[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(P[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4668	0.026	5	109.4668	0.001	5	109.4720	0.001	10	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](C[5]N[5]C)(P[5]N[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](C[5]N[5]C)(P[5]N[5]W)(CH3){1|Si<4>}	H(CC[5]HH)	109.4772	0.043	5	109.4772	0.002	5	109.4720	0.001	10	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-3:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5]W)(CH3){1|C<3>}	H(CC[5]HH)	109.4507	0.021	3	109.4507	0.000	3	109.4507	0.000	3	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	Ge[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Ge[5]C[5])(H)3	C[5](Ge[5]Ge[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]Ge[5]C[5])(H)3	C[5](Ge[5]Ge[6]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|N<3>}	H(CC[5]HH)	109.4960	0.056	3	109.4960	0.003	3	109.4960	0.003	3	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[4,5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[4,5]C[5])(H)3	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[4,5]C[5])(H)3	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3){1|Cl<1>,1|Si<5>,1|C<4>,2|N<3>}	H(CC[5]HH)	109.4582	0.036	10	109.4609	0.002	20	109.4609	0.002	20	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[4,5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[4,5]C[5])(H)3	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[4,5]C[5])(H)3	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3){1|Si<5>,1|C<4>,3|N<3>}	H(CC[5]HH)	109.4636	0.046	10	109.4609	0.002	20	109.4609	0.002	20	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]Ga[3x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]Ga[3x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	H(CC[5]HH)	109.4595	0.015	2	109.4595	0.000	2	109.4571	0.002	38	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,2|N<3>,2|S<2>,3|C<3>}	H(CC[5]HH)	109.4623	0.069	6	109.4623	0.005	6	109.4571	0.002	38	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	H(CC[5]HH)	109.4553	0.024	3	109.4553	0.001	3	109.4571	0.002	38	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]In[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]In[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,2|N<3>,2|S<2>,3|C<3>}	H(CC[5]HH)	109.4275	0.052	11	109.4275	0.003	11	109.4571	0.002	38	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|Se<2>,2|Br<1>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4673	0.013	3	109.4756	0.001	16	109.4571	0.002	38	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Br<1>,1|H<1>,1|O<3>,1|S<2>,3|C<3>}	H(CC[5]HH)	109.4793	0.007	3	109.4756	0.001	16	109.4571	0.002	38	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	H(CC[5]HH)	109.4690	0.021	3	109.4756	0.001	16	109.4571	0.002	38	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|O<3>,1|S<2>,3|C<3>}	H(CC[5]HH)	109.4890	0.027	2	109.4756	0.001	16	109.4571	0.002	38	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5,5])(H)3	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,2|S<2>,3|C<3>}	H(CC[5]HH)	109.4770	0.040	5	109.4756	0.001	16	109.4571	0.002	38	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	114.1297	1.706	3	114.1297	2.910	3	109.9781	2.363	28	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]C[5,5]N[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]C[5,5]N[5])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4520	0.000	1	109.4520	0.000	1	109.9781	2.363	28	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]Ga[3x5]N[5])(C[5]N[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]Ga[3x5]N[5])(C[5]N[5,5]C)(CH3){1|Cl<1>,1|C<3>,1|N<2>,2|S<2>}	H(CC[5]HH)	109.4797	0.016	4	109.4797	0.000	4	109.9781	2.363	28	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	H(CC[5]HH)	109.5070	0.057	5	109.5070	0.003	5	109.9781	2.363	28	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]Au)(CH3)	H(CC[5]HH)	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]Au)(CH3){1|C<3>,1|N<2>,3|H<1>}	H(CC[5]HH)	109.4443	0.020	3	109.4443	0.000	3	109.9781	2.363	28	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){1|B<4>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.4842	0.080	6	109.4763	0.004	9	109.9781	2.363	28	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){1|Si<5>,1|C<4>,1|N<3>,1|O<1>}	H(CC[5]HH)	109.4607	0.028	3	109.4763	0.004	9	109.9781	2.363	28	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]Si[5,5]N[5,5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]Si[5,5]N[5,5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4907	0.022	3	109.4907	0.000	3	109.9781	2.363	28	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5,5]N[5])(H)3	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]Cu)(CH3)	H(CC[5]HH)	C(C[5]N[5,5]N[5])(H)3	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]Cu)(CH3){1|C<4>,4|C<3>}	H(CC[5]HH)	109.4937	0.058	6	109.4937	0.003	6	109.4937	0.003	6	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,5a]C[5])(H)3	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,5a]C[5])(H)3	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|N<2>}	H(CC[5]HH)	109.4676	0.030	5	109.4676	0.001	5	109.4625	0.001	11	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,5a]C[5])(H)3	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,5a]C[5])(H)3	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|F<1>}	H(CC[5]HH)	109.4583	0.022	6	109.4583	0.001	6	109.4625	0.001	11	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5,6a]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5,6a])(H)3	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5,6a]C[5,6a]C[6a])(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5,6a])(H)3	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5,6a]C[5,6a]C[6a])(CH3){2|Cl<1>,1|B<4>,1|H<1>,2|N<3>,4|C<3>}	H(CC[5]HH)	109.4718	0.048	8	109.4718	0.002	8	109.4718	0.002	8	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|B<3>,1|C<4>,2|N<3>}	H(CC[5]HH)	109.4954	0.038	8	109.4688	0.024	90	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Ge<6>,1|C<4>,1|H<1>,2|N<3>}	H(CC[5]HH)	109.4895	0.033	6	109.4688	0.024	90	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|In<6>,1|C<4>,1|H<1>,2|N<3>}	H(CC[5]HH)	109.4658	0.498	9	109.4688	0.024	90	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<6>,1|C<4>,1|H<1>,2|N<3>}	H(CC[5]HH)	109.4624	0.048	18	109.4688	0.024	90	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	H(CC[5]HH)	109.4692	0.045	35	109.4688	0.024	90	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<8>,1|C<4>,1|H<1>,2|N<3>}	H(CC[5]HH)	109.4539	0.056	14	109.4688	0.024	90	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]C[3x6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]C[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4435	0.051	6	109.4435	0.003	6	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]Ge[3x6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]Ge[3x6])(C[5]C[5]H)(CH3){1|B<4>,1|C<4>,2|N<3>,3|N<2>}	H(CC[5]HH)	109.4617	0.036	6	109.4617	0.001	6	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]In[4x6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]In[4x6])(C[5]C[5]H)(CH3){1|Cl<1>,1|B<4>,1|C<4>,2|N<3>,2|O<2>}	H(CC[5]HH)	109.4963	1.020	9	109.4963	1.041	9	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]Nb[3x6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]Nb[3x6])(C[5]C[5]H)(CH3){1|Cl<1>,1|B<4>,1|N<2>,2|C<4>,2|N<3>}	H(CC[5]HH)	109.4702	0.029	13	109.4702	0.001	13	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]Nb[4x6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]N[5,6,6]Nb[4x6])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>}	H(CC[5]HH)	109.4707	0.062	6	109.4707	0.004	6	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<2>,1|C<4>,2|N<3>,4|C<3>}	H(CC[5]HH)	109.4643	0.039	6	109.4575	0.001	14	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<3>,3|C<4>,3|N<3>}	H(CC[5]HH)	109.4524	0.040	8	109.4575	0.001	14	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<2>,2|C<3>,2|C<4>,2|N<3>}	H(CC[5]HH)	109.4643	0.043	8	109.4683	0.004	41	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<4>,2|N<3>,4|C<3>}	H(CC[5]HH)	109.4700	0.105	9	109.4683	0.004	41	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<3>,2|N<3>,3|C<4>}	H(CC[5]HH)	109.4925	0.042	6	109.4683	0.004	41	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	H(CC[5]HH)	109.4653	0.034	12	109.4683	0.004	41	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4528	0.092	6	109.4683	0.004	41	109.4683	0.058	185	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6,6a]C[5])(H)3	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6,6a]C[5])(H)3	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4775	0.031	6	109.4775	0.001	6	109.4775	0.001	6	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(CH3){1|N<2>,1|O<2>,2|F<1>}	H(CC[5]HH)	109.4856	0.049	5	109.4856	0.002	5	109.4751	0.001	18	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]H)(CH3){1|N<2>,1|N<3>,2|F<1>}	H(CC[5]HH)	109.4676	0.046	5	109.4676	0.002	5	109.4751	0.001	18	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]C)(CH3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4720	0.010	2	109.4720	0.000	2	109.4751	0.001	18	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CC[5]HH)	109.4867	0.038	3	109.4867	0.001	3	109.4751	0.001	18	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[5]HH)	109.4607	0.024	3	109.4607	0.001	3	109.4751	0.001	18	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6a]C[5])(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	H(CC[5]HH)	C(C[5]N[5,6a]C[5])(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4435	0.018	2	109.4435	0.000	2	109.4619	0.003	12	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6a]C[5])(H)3	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5,6a]C[5])(H)3	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(CH3){3|C<3>}	H(CC[5]HH)	109.4732	0.043	5	109.4732	0.002	5	109.4619	0.003	12	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6a]C[5])(H)3	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5,6a]C[5])(H)3	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4580	0.078	5	109.4580	0.006	5	109.4619	0.003	12	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|Ni<5>,1|H<1>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.4783	0.032	3	109.4783	0.001	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5,5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5,5]C)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4700	0.004	2	109.4700	0.000	2	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5,5]C)(C[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5,5]C)(C[5]S[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4695	0.012	2	109.4695	0.000	2	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]H)(CH3){1|Zr<13>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4507	0.060	3	109.4507	0.004	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4883	0.061	6	109.4883	0.004	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.4580	0.010	2	109.4580	0.000	2	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Al)(C[5]O[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Al)(C[5]O[5]C)(CH3){1|C<3>}	H(CC[5]HH)	109.4726	0.040	7	109.4726	0.002	7	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Cd)(C[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Cd)(C[5]S[5]H)(CH3){1|N<3>}	H(CC[5]HH)	109.4748	0.030	5	109.4748	0.001	5	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]C)(CH3){1|Co<5>,1|C<4>}	H(CC[5]HH)	109.4080	0.158	3	109.4911	0.007	21	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	H(CC[5]HH)	109.4993	0.103	3	109.4911	0.007	21	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]C)(CH3){1|Co<6>,1|H<1>}	H(CC[5]HH)	109.5061	0.058	15	109.4911	0.007	21	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]O[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]O[5]C)(CH3){1|C<3>}	H(CC[5]HH)	109.4650	0.073	6	109.4650	0.005	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]S[5]H)(CH3){1|C<3>}	H(CC[5]HH)	109.5058	0.060	6	109.5058	0.004	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Cr)(C[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Cr)(C[5]S[5]H)(CH3){1|C<3>}	H(CC[5]HH)	109.4637	0.041	7	109.4637	0.002	7	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CH3){2|C<4>}	H(CC[5]HH)	108.3978	0.940	9	108.3978	0.883	9	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Fe)(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Fe)(C[5]S[5]C)(CH3){1|C<3>}	H(CC[5]HH)	109.4712	0.048	12	109.4712	0.002	12	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Fe)(C[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Fe)(C[5]S[5]H)(CH3){1|C<3>}	H(CC[5]HH)	109.4626	0.093	7	109.4626	0.009	7	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4680	0.026	3	109.4603	0.001	8	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3){2|C<3>}	H(CC[5]HH)	109.4556	0.026	5	109.4603	0.001	8	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ni<6>,1|C<4>,1|N<3>,1|S<2>}	H(CC[5]HH)	109.5013	0.038	3	109.5065	0.002	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ru<6>,1|C<4>,1|N<3>,1|S<2>}	H(CC[5]HH)	109.5117	0.063	3	109.5065	0.002	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CH3){1|Ni<5>,1|H<1>}	H(CC[5]HH)	109.4518	0.156	18	109.4626	0.034	71	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>}	H(CC[5]HH)	109.4663	0.195	53	109.4626	0.034	71	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CH3){1|C<3>}	H(CC[5]HH)	109.4380	0.027	2	109.4470	0.001	5	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CH3){1|H<1>}	H(CC[5]HH)	109.4530	0.045	3	109.4470	0.001	5	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Pd)(C[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Pd)(C[5]S[5]H)(CH3){1|N<2>}	H(CC[5]HH)	109.5093	0.035	3	109.5093	0.001	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Re)(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Re)(C[5]S[5]C)(CH3){1|H<1>}	H(CC[5]HH)	109.4845	0.061	6	109.4845	0.004	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Sm)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Sm)(C[5]C[5]C)(CH3){1|C<4>,1|C<5>}	H(CC[5]HH)	109.4813	0.052	6	109.4813	0.003	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ti)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ti)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4383	0.113	3	109.4383	0.013	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ti)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ti)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4293	0.038	3	109.4293	0.001	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4536	0.059	5	109.4536	0.004	5	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Al<5>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4563	0.025	3	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|V<7>}	H(CC[5]HH)	109.4756	0.027	5	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cd<5>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4674	0.036	9	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cd<6>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4531	0.059	8	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Co<5>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4614	0.033	12	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Co<5>,1|C<4>,1|N<2>,1|N<3>}	H(CC[5]HH)	109.4720	0.040	6	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Co<6>,1|C<4>,1|N<2>,1|N<3>}	H(CC[5]HH)	109.4752	0.032	5	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cr<6>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4660	0.041	5	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<4>,1|C<3>,1|C<4>,1|N<4>}	H(CC[5]HH)	109.4582	0.048	6	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<4>,1|N<2>,1|N<3>}	H(CC[5]HH)	109.4633	0.036	4	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<6>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4726	0.028	9	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<6>,1|C<4>,1|N<2>,1|N<3>}	H(CC[5]HH)	109.4903	0.043	8	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4608	0.063	6	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Fe<6>,1|C<4>,1|N<2>,1|N<3>}	H(CC[5]HH)	109.4642	0.026	6	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4465	0.056	6	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4869	0.044	27	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ni<6>,1|C<4>,1|N<2>,1|N<3>}	H(CC[5]HH)	109.4589	0.046	10	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,1|N<2>,1|N<3>}	H(CC[5]HH)	109.4850	0.047	6	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.5010	0.020	3	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4647	0.043	18	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ru<7>,1|C<3>,1|C<4>,1|N<4>}	H(CC[5]HH)	109.4680	0.000	1	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Sm<14>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4720	0.011	2	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4601	0.023	8	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4793	0.043	4	109.4700	0.002	177	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4608	0.030	10	109.4608	0.001	10	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4615	0.023	2	109.5559	0.192	72	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4696	0.033	5	109.5559	0.192	72	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ir<6>,3|C<3>}	H(CC[5]HH)	109.4828	0.039	6	109.5559	0.192	72	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ni<2>,3|C<3>}	H(CC[5]HH)	109.4670	0.012	3	109.5559	0.192	72	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ni<4>,3|C<3>}	H(CC[5]HH)	109.4638	0.033	4	109.5559	0.192	72	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.4942	0.037	5	109.5559	0.192	72	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Pd<5>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.4449	0.034	11	109.5559	0.192	72	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|S<1>,3|C<3>}	H(CC[5]HH)	109.4690	0.000	1	109.5559	0.192	72	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Se<1>,3|C<3>}	H(CC[5]HH)	109.4553	0.024	4	109.5559	0.192	72	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Se<2>,3|C<3>}	H(CC[5]HH)	109.4948	0.018	5	109.5559	0.192	72	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){4|C<3>}	H(CC[5]HH)	109.7105	0.710	26	109.5559	0.192	72	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4447	0.027	3	109.4557	0.001	8	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4624	0.021	5	109.4557	0.001	8	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4317	0.026	3	109.4619	0.001	19	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|N<2>,2|C<3>}	H(CC[5]HH)	109.4830	0.016	3	109.4619	0.001	19	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|Rh<8>,2|C<3>}	H(CC[5]HH)	109.4813	0.022	3	109.4619	0.001	19	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|Rh<9>,2|C<3>}	H(CC[5]HH)	109.4520	0.031	2	109.4619	0.001	19	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|S<1>,2|C<3>}	H(CC[5]HH)	109.4787	0.047	3	109.4619	0.001	19	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){3|C<3>}	H(CC[5]HH)	109.4496	0.019	5	109.4619	0.001	19	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]H)(CH3){1|N<2>,2|C<3>}	H(CC[5]HH)	109.8824	1.890	14	109.8824	3.572	14	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|Cl<1>,1|Ga<4>,3|C<3>}	H(CC[5]HH)	109.4562	0.031	4	109.4722	0.003	25	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|Ga<3>,3|C<3>}	H(CC[5]HH)	109.4793	0.078	10	109.4722	0.003	25	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|N<3>,1|O<3>,3|C<3>}	H(CC[5]HH)	109.4638	0.052	6	109.4722	0.003	25	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){2|Cl<1>,3|C<3>}	H(CC[5]HH)	109.4806	0.029	5	109.4722	0.003	25	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CH3){1|Ge<3>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.4017	0.071	3	109.4017	0.005	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ge[5])(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ge[5])(C[5]P[5]C)(CH3){1|Cl<1>,4|C<3>}	H(CC[5]HH)	109.4707	0.020	3	109.4707	0.000	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]In[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]In[5])(C[5]N[5]C)(CH3){3|Cl<1>,3|C<3>}	H(CC[5]HH)	109.4580	0.026	6	109.4580	0.001	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]Br)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]Br)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.4613	0.043	3	109.4613	0.002	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|V<5>}	H(CC[5]HH)	109.4840	0.039	4	109.6540	1.312	80	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.3985	1.327	30	109.6540	1.312	80	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Mn<6>,1|N<2>,2|C<3>}	H(CC[5]HH)	109.4784	0.076	13	109.6540	1.312	80	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.5055	0.069	6	109.6540	1.312	80	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4873	0.043	15	109.6540	1.312	80	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.4632	0.055	6	109.6540	1.312	80	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){3|C<3>}	H(CC[5]HH)	112.1822	1.470	6	109.6540	1.312	80	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]I)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]I)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.5130	0.057	2	109.5130	0.003	2	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]Pd)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]Pd)(CH3){2|C<3>,2|C<4>}	H(CC[5]HH)	109.4683	0.033	6	109.4683	0.001	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]S)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]S)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	H(CC[5]HH)	109.4490	0.091	2	109.4490	0.008	2	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]N[5]Ir)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]N[5]Ir)(CH3){3|C<3>}	H(CC[5]HH)	109.4782	0.036	6	109.4782	0.001	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Nb[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Nb[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	H(CC[5]HH)	109.4283	0.032	3	109.4283	0.001	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Nb[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Nb[5])(C[5]N[5]C)(CH3){4|Cl<1>,3|C<3>}	H(CC[5]HH)	109.4868	0.029	5	109.4868	0.001	5	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]P[5])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]P[5])(C[5]N[5]C)(CH3){3|C<3>}	H(CC[5]HH)	109.4738	0.042	22	109.4738	0.002	22	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]P[5])(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]P[5])(C[5]P[5]C)(CH3){4|C<3>}	H(CC[5]HH)	109.4847	0.022	3	109.4847	0.000	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3){1|N<3>,1|N<4>,2|C<4>,2|O<2>}	H(CC[5]HH)	109.4720	0.029	3	109.4873	0.001	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3){2|C<4>,2|N<4>,2|O<2>}	H(CC[5]HH)	109.5027	0.032	3	109.4873	0.001	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4789	0.049	12	109.4774	0.002	20	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4750	0.038	8	109.4774	0.002	20	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ca)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ca)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4734	0.044	11	109.4734	0.002	11	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ca)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ca)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.6821	1.035	9	109.6821	1.072	9	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4784	0.051	20	109.4747	0.002	59	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4728	0.041	39	109.4747	0.002	59	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4949	0.048	11	109.4757	0.002	18	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4454	0.032	7	109.4757	0.002	18	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|B<4>,1|C<3>}	H(CC[5]HH)	109.5893	0.060	3	109.5414	0.125	200	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4696	0.036	29	109.5414	0.125	200	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.6757	0.597	28	109.5414	0.125	200	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	110.0103	0.569	6	109.5414	0.125	200	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4609	0.037	22	109.5414	0.125	200	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|P<4>}	H(CC[5]HH)	110.3884	1.343	5	109.5414	0.125	200	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4751	0.050	107	109.5414	0.125	200	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]N)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]N)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4767	0.021	4	109.4767	0.000	4	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]S)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Co)(C[5]C[5]S)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4863	0.032	3	109.4863	0.001	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4521	0.034	7	109.4754	0.004	66	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4620	0.050	5	109.4754	0.004	66	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.5145	0.039	2	109.4754	0.004	66	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<4>}	H(CC[5]HH)	109.4628	0.023	5	109.4754	0.004	66	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4800	0.071	47	109.4754	0.004	66	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4692	0.061	14	109.4692	0.004	14	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.7265	0.618	30	109.4783	0.136	313	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4706	0.040	31	109.4783	0.136	313	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4649	0.030	9	109.4783	0.136	313	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4735	0.143	34	109.4783	0.136	313	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|P<3>}	H(CC[5]HH)	109.4707	0.043	7	109.4783	0.136	313	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4442	0.376	202	109.4783	0.136	313	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Dy)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Dy)(C[5]C[5]H)(CH3){1|B<5>,1|H<1>}	H(CC[5]HH)	109.4645	0.017	4	109.4645	0.000	4	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Er)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Er)(C[5]C[5]H)(CH3){1|B<5>,1|H<1>}	H(CC[5]HH)	109.4456	0.023	5	109.4635	0.001	11	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Er)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Er)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4785	0.018	6	109.4635	0.001	11	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Eu)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Eu)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4810	2.793	3	109.4810	7.799	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4942	0.035	5	109.4942	0.001	5	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4687	0.038	129	109.5007	0.052	374	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	H(CC[5]HH)	109.4707	0.035	67	109.5007	0.052	374	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4795	0.054	13	109.5007	0.052	374	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4667	0.173	14	109.5007	0.052	374	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4742	0.020	4	109.5007	0.052	374	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.5481	0.352	147	109.5007	0.052	374	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]I)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]I)(CH3){2|C<4>}	H(CC[5]HH)	109.4555	0.035	2	109.4555	0.001	2	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3){1|Ga<3>,1|C<4>}	H(CC[5]HH)	109.4160	0.035	3	109.4254	0.001	5	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3){1|Ga<4>,1|C<4>}	H(CC[5]HH)	109.4395	0.030	2	109.4254	0.001	5	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ho)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ho)(C[5]C[5]H)(CH3){1|B<5>,1|H<1>}	H(CC[5]HH)	109.4630	0.044	5	109.4630	0.002	5	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4711	0.087	380	109.4918	0.091	490	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.7230	1.041	37	109.4918	0.091	490	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4689	0.047	9	109.4918	0.091	490	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4554	0.025	9	109.4918	0.091	490	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4891	0.083	55	109.4918	0.091	490	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.5130	0.040	7	109.4780	0.002	37	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4627	0.034	3	109.4780	0.002	37	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4353	0.024	3	109.4780	0.002	37	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4750	0.036	24	109.4780	0.002	37	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mg)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mg)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4710	0.025	3	109.4710	0.001	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.9068	1.470	5	109.5153	0.204	66	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4832	0.251	61	109.5153	0.204	66	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4839	0.042	19	109.7461	1.023	98	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4766	0.056	8	109.7461	1.023	98	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4870	0.069	3	109.7461	1.023	98	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4907	0.048	7	109.7461	1.023	98	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|Mn<5>,1|C<3>}	H(CC[5]HH)	109.4652	0.034	11	109.7461	1.023	98	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|Mn<6>,1|C<3>}	H(CC[5]HH)	109.4726	0.034	8	109.7461	1.023	98	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	110.1027	1.480	42	109.7461	1.023	98	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mo)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mo)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4611	0.068	11	109.4611	0.005	11	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<3>,1|C<4>}	H(CC[5]HH)	109.4653	0.044	14	109.7036	0.977	501	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.7066	0.796	384	109.7036	0.977	501	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<5>,1|C<4>}	H(CC[5]HH)	109.5063	0.130	3	109.7036	0.977	501	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4855	0.053	13	109.7036	0.977	501	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.7679	1.685	87	109.7036	0.977	501	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4706	0.029	5	109.4781	0.003	14	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4823	0.064	9	109.4781	0.003	14	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.6493	1.441	100	109.5582	0.747	295	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	H(CC[5]HH)	109.4760	0.026	8	109.5582	0.747	295	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.6288	0.481	51	109.5582	0.747	295	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4957	0.044	3	109.5582	0.747	295	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4678	0.027	6	109.5582	0.747	295	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|Ni<4>,1|C<4>}	H(CC[5]HH)	109.4617	0.048	19	109.5582	0.747	295	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4704	0.045	108	109.5582	0.747	295	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Os)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4680	0.021	5	109.4680	0.000	5	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3){1|Co<5>,1|C<4>,1|N<2>,2|N<3>}	H(CC[5]HH)	111.8325	3.154	6	111.0418	7.624	9	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,1|N<3>,2|N<2>}	H(CC[5]HH)	109.4603	0.022	3	111.0418	7.624	9	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	H(CC[5]HH)	109.4847	0.039	10	109.4847	0.002	10	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4871	0.062	37	109.4747	0.003	304	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4522	0.056	18	109.4747	0.003	304	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>}	H(CC[5]HH)	109.5220	0.119	3	109.4747	0.003	304	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4580	0.050	27	109.4747	0.003	304	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|P<3>}	H(CC[5]HH)	109.4510	0.068	8	109.4747	0.003	304	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|P<4>}	H(CC[5]HH)	109.5090	0.056	3	109.4747	0.003	304	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>}	H(CC[5]HH)	109.4756	0.026	9	109.4747	0.003	304	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4764	0.050	199	109.4747	0.003	304	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]I)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]I)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4833	0.042	3	109.4833	0.002	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]S)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]S)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4855	0.045	2	109.4855	0.002	2	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.5103	0.371	71	109.5040	0.124	79	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4860	0.007	2	109.5040	0.124	79	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|Pt<4>,1|C<4>}	H(CC[5]HH)	109.4357	0.076	6	109.5040	0.124	79	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Re)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Re)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>}	H(CC[5]HH)	109.4503	0.034	3	109.4503	0.001	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4851	0.036	7	109.4748	0.002	74	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4777	0.026	3	109.4748	0.002	74	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4748	0.047	31	109.4748	0.002	74	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4723	0.040	33	109.4748	0.002	74	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Re)(C[5]C[5]S)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Re)(C[5]C[5]S)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4907	1.216	12	109.4907	1.478	12	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4703	0.166	330	109.5060	0.187	380	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4513	0.033	3	109.5060	0.187	380	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|Rh<6>,1|C<4>}	H(CC[5]HH)	113.9367	1.102	3	109.5060	0.187	380	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4760	0.045	44	109.5060	0.187	380	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4694	0.053	30	109.4865	0.393	162	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.6134	1.864	19	109.4865	0.393	162	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4698	0.050	113	109.4865	0.393	162	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Sc)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Sc)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4533	0.182	3	109.4533	0.033	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Sm)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Sm)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4773	0.053	6	109.4773	0.003	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4439	1.321	12	109.4598	0.663	30	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4803	0.025	3	109.4598	0.663	30	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4685	0.050	15	109.4598	0.663	30	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Sr)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Sr)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4905	0.043	6	109.4905	0.002	6	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4648	0.044	35	109.4648	0.002	35	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Tb)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Tb)(C[5]C[5]H)(CH3){1|B<5>,1|H<1>}	H(CC[5]HH)	109.4800	0.031	4	109.4800	0.001	4	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4763	0.043	7	109.3651	0.455	35	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3){1|C<4>}	H(CC[5]HH)	109.4643	0.034	7	109.3651	0.455	35	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.2950	0.871	21	109.3651	0.455	35	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	110.5302	1.591	17	110.3729	2.280	20	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3){1|Zn<4>,1|N<3>}	H(CC[5]HH)	109.4817	0.014	3	110.3729	2.280	20	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4784	0.030	10	109.4578	0.166	302	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4779	0.040	59	109.4578	0.166	302	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4687	0.034	54	109.4578	0.166	302	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|Zn<4>,1|C<4>}	H(CC[5]HH)	109.4714	0.041	34	109.4578	0.166	302	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4410	0.587	145	109.4578	0.166	302	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zr)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zr)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4464	0.065	5	109.4422	0.002	13	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zr)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zr)(C[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4395	0.032	8	109.4422	0.002	13	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4607	0.202	3	109.4607	0.041	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]Nb[3,3,5]C[6a])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]Nb[3,3,5]C[6a])(C[5]C[5]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,2|C<3>,2|O<2>}	H(CC[5]HH)	109.4777	0.021	3	109.4777	0.000	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]Nb[3,5,5]C[6a])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]Nb[3,5,5]C[6a])(C[5]C[5]H)(CH3){1|C<4>,1|C<5>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4620	0.025	4	109.4620	0.001	4	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]O[5]Pd)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]O[5]Pd)(C[5]C[5]H)(CH3){1|C<4>}	H(CC[5]HH)	107.2717	4.799	3	107.2717	23.026	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]Si[4,5]C[6a])(C[5]C[4,5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]Si[4,5]C[6a])(C[5]C[4,5]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	H(CC[5]HH)	111.1837	1.354	3	111.1837	1.832	3	109.5270	0.341	4843	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5]C)(CH3){1|B<5>,4|B<6>}	H(CC[5]HH)	109.4600	0.000	1	109.4600	0.000	1	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6]C)(N[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6]C)(N[5]C[5,6]H)(CH3){2|C<3>}	H(CC[5]HH)	109.4770	0.061	3	109.4770	0.004	3	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Al)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Al)2(CH3){2|C<3>}	H(CC[5]HH)	109.4965	0.015	2	109.4965	0.000	2	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]C)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]C)2(CH3){2|C<3>}	H(CC[5]HH)	109.4784	0.027	19	109.4784	0.001	19	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CH3){2|C<3>}	H(CC[5]HH)	109.4744	0.026	7	109.4744	0.001	7	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CH3){2|C<3>}	H(CC[5]HH)	109.4388	0.028	10	109.4388	0.001	10	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CH3){2|C<3>}	H(CC[5]HH)	109.5023	0.054	4	109.5023	0.003	4	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CH3){2|C<3>}	H(CC[5]HH)	109.5160	0.041	9	109.5160	0.002	9	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CH3){2|C<3>}	H(CC[5]HH)	109.4930	0.039	6	109.4930	0.002	6	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(CH3){2|C<3>}	H(CC[5]HH)	109.4872	0.083	5	109.4872	0.007	5	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Ga)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Ga)2(CH3){2|C<3>}	H(CC[5]HH)	109.4920	0.026	3	109.4920	0.001	3	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]H)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]H)2(CH3){2|C<3>}	H(CC[5]HH)	109.3074	0.601	30	109.3074	0.361	30	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(CH3){2|C<3>}	H(CC[5]HH)	109.4729	0.043	9	109.4729	0.002	9	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CH3){2|C<3>}	H(CC[5]HH)	109.4657	0.050	3	109.4657	0.003	3	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Ag)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Ag)(N[5]C[5]H)(CH3){2|H<1>}	H(CC[5]HH)	115.2687	5.778	3	115.2687	33.384	3	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){1|H<1>,1|N<3>}	H(CC[5]HH)	110.1762	0.877	5	109.4764	0.138	80	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|Br<1>}	H(CC[5]HH)	109.4523	0.026	3	109.4764	0.138	80	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4687	0.022	3	109.4764	0.138	80	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|H<1>}	H(CC[5]HH)	109.4271	0.277	69	109.4764	0.138	80	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3){1|Ir<7>,1|H<1>}	H(CC[5]HH)	109.4695	0.019	4	109.4987	0.188	250	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3){1|Ir<8>,1|H<1>}	H(CC[5]HH)	109.4593	0.055	12	109.4987	0.188	250	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3){1|Pd<4>,1|H<1>}	H(CC[5]HH)	109.4797	0.028	3	109.4987	0.188	250	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3){1|Pt<6>,1|H<1>}	H(CC[5]HH)	109.4963	0.039	9	109.4987	0.188	250	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3){1|Rh<6>,1|H<1>}	H(CC[5]HH)	109.4717	0.042	21	109.4987	0.188	250	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3){2|C<4>}	H(CC[5]HH)	109.5184	0.100	8	109.4987	0.188	250	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3){2|H<1>}	H(CC[5]HH)	109.5051	0.497	190	109.4987	0.188	250	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(CH3){4|H<1>}	H(CC[5]HH)	109.4543	0.023	3	109.4987	0.188	250	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3){1|Rh<8>,1|C<3>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4947	0.067	6	109.4947	0.004	6	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]Ru)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]Ru)(CH3){1|Ru<6>,1|C<3>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4800	0.060	3	109.4800	0.004	3	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cd)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cd)(N[5]C[5]C)(CH3){2|H<1>}	H(CC[5]HH)	109.4683	0.040	9	109.4683	0.002	9	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cd)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cd)(N[5]C[5]H)(CH3){2|C<3>}	H(CC[5]HH)	109.4643	0.031	3	109.4558	0.001	9	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cd)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cd)(N[5]C[5]H)(CH3){2|H<1>}	H(CC[5]HH)	109.4515	0.040	6	109.4558	0.001	9	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(CH3){2|H<1>}	H(CC[5]HH)	109.4797	0.043	16	109.4797	0.002	16	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]H)(CH3){2|C<3>}	H(CC[5]HH)	109.4558	0.015	5	109.4628	0.001	11	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]H)(CH3){2|H<1>}	H(CC[5]HH)	109.4687	0.048	6	109.4628	0.001	11	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Co)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Co)2(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4708	0.076	5	109.4574	0.008	31	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Co)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Co)2(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4548	0.092	26	109.4574	0.008	31	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3){1|H<1>,1|N<3>}	H(CC[5]HH)	109.4673	0.026	7	109.4790	0.002	43	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3){1|N<3>}	H(CC[5]HH)	109.4630	0.041	3	109.4790	0.002	43	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3){2|H<1>}	H(CC[5]HH)	109.4830	0.043	33	109.4790	0.002	43	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.6708	2.621	32	109.4354	5.140	50	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	106.5080	2.321	3	109.4354	5.140	50	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CH3){2|C<4>}	H(CC[5]HH)	109.4810	0.041	5	109.4354	5.140	50	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CH3){2|H<1>}	H(CC[5]HH)	109.5375	0.223	10	109.4354	5.140	50	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)2(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.3321	0.693	14	109.4593	0.162	50	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Cu)2(CH3){2|H<1>}	H(CC[5]HH)	109.5088	0.200	36	109.4593	0.162	50	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4712	0.601	162	109.4257	0.767	176	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]H)(CH3){2|H<1>}	H(CC[5]HH)	108.8991	2.350	14	109.4257	0.767	176	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]H)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]H)2(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	110.2137	0.180	3	109.5431	0.302	127	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]H)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]H)2(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4452	0.037	5	109.5431	0.302	127	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]H)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]H)2(CH3){2|C<3>}	H(CC[5]HH)	109.4658	0.027	6	109.5431	0.302	127	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]H)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]H)2(CH3){2|H<1>}	H(CC[5]HH)	109.5337	0.571	113	109.5431	0.302	127	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CH3){2|H<1>}	H(CC[5]HH)	109.4950	0.070	3	109.4950	0.005	3	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CH3){2|C<3>}	H(CC[5]HH)	109.4440	0.041	2	109.4463	0.001	4	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CH3){2|H<1>}	H(CC[5]HH)	109.4485	0.022	2	109.4463	0.001	4	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]H)(CH3){2|C<3>}	H(CC[5]HH)	109.5007	0.010	3	109.5007	0.000	3	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]O)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]O)2(CH3){2|H<1>}	H(CC[5]HH)	109.4813	0.033	3	109.4813	0.001	3	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Pd)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Pd)(N[5]C[5]C)(CH3){1|H<1>,1|N<3>}	H(CC[5]HH)	109.7852	0.710	6	109.7852	0.505	6	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Pt)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Pt)(N[5]C[5]C)(CH3){1|H<1>,1|N<3>}	H(CC[5]HH)	109.4583	0.030	6	109.4583	0.001	6	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Ru)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Ru)(N[5]C[5]C)(CH3){2|H<1>}	H(CC[5]HH)	109.4797	0.020	3	109.4797	0.000	3	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CH3){2|H<1>}	H(CC[5]HH)	109.4799	0.033	8	109.4799	0.001	8	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]H)(CH3){2|H<1>}	H(CC[5]HH)	109.4670	0.007	2	109.4670	0.000	2	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3){1|Ir<8>,1|H<1>,1|N<2>,1|N<3>}	H(CC[5]HH)	109.4650	0.006	2	109.4874	0.001	5	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3){1|Ru<9>,1|H<1>,1|N<2>,1|N<3>}	H(CC[5]HH)	109.5023	0.015	3	109.4874	0.001	5	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CC[5]HH)	109.4883	0.030	3	109.4762	0.001	13	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4796	0.040	5	109.4762	0.001	13	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3){2|C<3>,4|H<1>}	H(CC[5]HH)	109.4654	0.020	5	109.4762	0.001	13	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(CH3){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4631	0.033	9	109.4631	0.001	9	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5]Cd)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5]Cd)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4697	0.047	3	109.4697	0.002	3	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(CH3){3|C<3>}	H(CC[5]HH)	109.4673	0.042	3	109.4673	0.002	3	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5]Zn)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5]Zn)(CH3){1|C<4>,2|C<3>}	H(CC[5]HH)	109.5070	0.081	6	109.5070	0.007	6	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])2(CH3){1|B<4>,1|H<1>,4|C<3>}	H(CC[5]HH)	109.4676	0.040	5	109.4638	0.002	8	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])2(CH3){4|C<3>,4|H<1>}	H(CC[5]HH)	109.4573	0.062	3	109.4638	0.002	8	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]C)(N[5]N[5]N)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]C)(N[5]N[5]N)(CH3)	H(CC[5]HH)	109.4805	0.023	6	109.4805	0.001	6	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Co)(N[5]C[5]N)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Co)(N[5]C[5]N)(CH3){1|Co<4>,1|C<4>}	H(CC[5]HH)	109.4634	0.026	5	109.4634	0.001	5	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ir)2(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ir)2(CH3)	H(CC[5]HH)	109.4457	0.028	3	109.4457	0.001	3	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Zn)(N[5]C[5]N)(CH3)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	C[5](N[5]N[5]Zn)(N[5]C[5]N)(CH3){1|Zn<4>,1|C<4>}	H(CC[5]HH)	109.4688	0.031	9	109.4688	0.001	9	109.4908	0.622	1083	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3){1|Fe<12>,4|C<4>}	H(CC[5]HH)	109.4592	0.025	5	109.4601	0.001	10	109.4651	0.001	20	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3){1|Li<8>,4|C<4>}	H(CC[5]HH)	109.4610	0.041	5	109.4601	0.001	10	109.4651	0.001	20	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](P[5]N[5]Cr)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](P[5]N[5]Cr)(C[5]N[5]C)(CH3){1|Si<4>}	H(CC[5]HH)	109.4592	0.030	6	109.4592	0.001	6	109.4651	0.001	20	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](P[5]N[5]Mo)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](P[5]N[5]Mo)(C[5]N[5]C)(CH3){1|Si<4>}	H(CC[5]HH)	109.4865	0.032	4	109.4865	0.001	4	109.4651	0.001	20	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:P[5]-3:C-4:	C-4:	C(C[5]P[5]2)(H)3	C[5](P[5]Ge[5]W)(P[5]C[5]W)(CH3)	H(CC[5]HH)	C(C[5]P[5]2)(H)3	C[5](P[5]Ge[5]W)(P[5]C[5]W)(CH3){3|C<4>}	H(CC[5]HH)	109.4630	0.042	3	109.4630	0.002	3	109.4630	0.002	3	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	S[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](S[5]C[5]Cu)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](S[5]C[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4845	0.053	2	109.4845	0.003	2	109.4845	0.003	2	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:O-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)2(O)	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(H)2(O)	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO){1|C<3>}	H(CC[5]HO)	109.4433	0.421	4	109.4433	0.177	4	109.4433	0.177	4	109.5383	0.416	19268	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5,5]-4:C-4:	C-4:	C(C[5]C[5,5]2)(H)3	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]N[5]2)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]2)(H)3	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]N[5]2)(CH3){2|H<1>,3|C<4>,4|C<3>}	H(CC[5]HH)	109.4743	0.035	3	109.4743	0.001	3	109.4743	0.001	3	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4742	0.029	5	109.4742	0.001	5	109.4713	0.001	27	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4674	0.034	8	109.4674	0.001	8	109.4713	0.001	27	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<3>,1|C<4>,2|O<1>}	H(CC[5]HH)	109.4635	0.009	4	109.4715	0.000	12	109.4713	0.001	27	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4750	0.015	5	109.4715	0.000	12	109.4713	0.001	27	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,3|C<3>}	H(CC[5]HH)	109.4763	0.014	3	109.4715	0.000	12	109.4713	0.001	27	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|O<2>,4|C<3>}	H(CC[5]HH)	109.4780	0.008	2	109.4780	0.000	2	109.4713	0.001	27	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5,5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	H(CC[5]HH)	109.4823	0.024	7	109.4823	0.001	7	109.4823	0.001	7	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4703	0.018	3	109.4703	0.000	3	109.4703	0.000	3	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4723	0.007	3	109.4723	0.000	3	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.4685	0.050	8	109.4685	0.003	8	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[5]HH)	109.7260	2.607	5	109.6305	3.900	8	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4713	0.014	3	109.6305	3.900	8	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4595	0.005	2	109.4595	0.000	2	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C[5])(C[5]C[5,6]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C[5])(C[5]C[5,6]HH)(CH3){1|Cr<9>,1|C<3>,3|C<4>}	H(CC[5]HH)	109.4530	0.030	2	109.4530	0.001	2	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4820	0.000	1	109.4820	0.000	1	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>}	H(CC[5]HH)	109.4610	0.035	2	109.4610	0.001	2	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|Re<8>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4267	0.021	3	109.4267	0.000	3	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3){4|C<3>}	H(CC[5]HH)	109.4703	0.040	3	109.4703	0.002	3	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	H(CC[5]HH)	109.4817	0.012	12	109.4817	0.000	12	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4723	0.021	3	109.4723	0.000	3	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4455	0.039	2	109.4455	0.002	2	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3){5|C<3>}	H(CC[5]HH)	109.5020	0.023	2	109.5020	0.001	2	109.4945	0.550	51	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-4:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5,6]C[6a])(P[5]O[5]OO)(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5,6]C[6a])(P[5]O[5]OO)(CH3){2|C<3>,2|C<4>}	H(CC[5]HH)	109.4453	0.025	3	109.4453	0.001	3	109.4453	0.001	3	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-4:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(CH3){4|C<3>}	H(CC[5]HH)	109.4885	0.036	2	109.4885	0.001	2	109.4885	0.001	2	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3)	H(CC[5]HH)	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4583	0.021	3	109.4588	0.000	5	109.8091	1.646	14	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3)	H(CC[5]HH)	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	H(CC[5]HH)	109.4595	0.022	2	109.4588	0.000	5	109.8091	1.646	14	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]HH)(CH3){1|C<3>,1|N<3>,4|C<4>}	H(CC[5]HH)	109.4813	0.008	3	110.0037	2.556	9	109.8091	1.646	14	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,5|C<4>}	H(CC[5]HH)	110.2648	1.961	6	110.0037	2.556	9	109.8091	1.646	14	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]CH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]CH)(CH3){2|O<2>,3|C<3>}	H(CC[5]HH)	109.4740	0.016	4	109.4740	0.000	4	109.4803	0.001	7	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]CC)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]CC)(CH3){2|C<4>,3|C<3>}	H(CC[5]HH)	109.4887	0.034	3	109.4887	0.001	3	109.4803	0.001	7	109.5227	0.433	117	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[3,5]N[5])(H)3	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[3,5]N[5])(H)3	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	108.8963	1.359	3	109.3570	1.408	6	109.4189	0.590	13	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[3,5]N[5])(H)3	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[3,5]N[5])(H)3	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3){1|O<1>,2|C<3>}	H(CC[5]HH)	109.8177	1.017	3	109.3570	1.408	6	109.4189	0.590	13	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[3,5]N[5])(H)3	C[5](C[3,5]C[3]C[5]O[3])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[3,5]N[5])(H)3	C[5](C[3,5]C[3]C[5]O[3])(N[5]N[5])(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4720	0.026	7	109.4720	0.001	7	109.4189	0.590	13	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5,6]N[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5,6]N[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4770	0.007	2	109.4792	0.001	4	109.4792	0.001	4	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5,6]N[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5,6]N[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CH3){1|N<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4815	0.047	2	109.4792	0.001	4	109.4792	0.001	4	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,5]C[5]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,5]C[5]2)(N[5]N[5])(CH3){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(CC[5]HH)	109.4630	0.145	3	109.4630	0.021	3	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]N[5])(CH3){1|O<1>,5|C<3>}	H(CC[5]HH)	109.4713	0.016	3	109.4713	0.000	3	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4697	0.020	3	109.4697	0.000	3	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,6]C[5]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,6]C[5]2)(N[5]N[5])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4571	0.025	10	109.4571	0.001	10	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4863	0.069	3	109.4863	0.005	3	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4885	0.071	2	109.4602	0.003	12	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3){2|C<4>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4545	0.055	10	109.4602	0.003	12	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5]HH)	109.4885	0.006	2	109.4862	0.001	10	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]HH)	109.4856	0.033	8	109.4862	0.001	10	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]C[5])(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4685	0.011	2	109.4685	0.000	2	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<2>}	H(CC[5]HH)	109.4425	0.028	2	109.4780	0.001	40	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4822	0.037	5	109.4780	0.001	40	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	H(CC[5]HH)	109.4793	0.023	6	109.4780	0.001	40	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4918	0.028	5	109.4780	0.001	40	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(CC[5]HH)	109.4844	0.025	5	109.4780	0.001	40	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4943	0.042	3	109.4780	0.001	40	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4720	0.016	7	109.4780	0.001	40	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,3|H<1>,4|C<3>}	H(CC[5]HH)	109.4575	0.014	4	109.4780	0.001	40	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,5|C<3>}	H(CC[5]HH)	109.4833	0.040	3	109.4780	0.001	40	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]N[5]O[5])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]N[5]O[5])(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4167	0.036	3	109.4167	0.001	3	109.4712	0.002	89	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]O[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]O[5])(CH3){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(CC[5]HH)	109.4520	0.032	3	109.4520	0.001	3	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.5020	0.710	3	109.5020	0.504	3	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a])(CH3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(CC[5]HH)	109.4387	0.048	3	109.4387	0.002	3	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4343	0.016	3	109.4733	0.002	49	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4770	0.051	2	109.4733	0.002	49	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4847	0.032	3	109.4733	0.002	49	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4757	0.058	16	109.4733	0.002	49	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(CC[5]HH)	109.4677	0.055	3	109.4733	0.002	49	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(CC[5]HH)	109.5006	0.047	5	109.4733	0.002	49	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	H(CC[5]HH)	109.4772	0.039	6	109.4733	0.002	49	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4730	0.013	2	109.4733	0.002	49	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4523	0.018	6	109.4733	0.002	49	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4803	0.011	3	109.4733	0.002	49	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]O[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]O[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4700	0.000	1	109.4700	0.000	1	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	H(CC[5]HH)	109.4680	0.007	2	109.4680	0.000	2	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5])(CH3){1|C<4>,1|O<1>,4|C<3>}	H(CC[5]HH)	109.4393	0.027	3	109.4393	0.001	3	109.4702	0.018	64	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CH3){1|H<1>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.4947	0.054	3	109.4947	0.003	3	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]CH)(N[5]N[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]CH)(N[5]N[5,6])(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4787	0.015	3	109.4787	0.000	3	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4713	0.028	3	109.4503	0.001	6	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4293	0.023	3	109.4503	0.001	6	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	H(CC[5]HH)	109.4770	0.038	11	109.4770	0.001	11	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2C)(N[5]N[5])(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4877	0.026	3	109.4877	0.001	3	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2N)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2N)(N[5]N[5])(CH3){1|F<1>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4730	0.041	3	109.4730	0.002	3	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]C[5])(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4753	0.010	3	109.4753	0.000	3	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4644	0.046	41	109.4656	0.002	58	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4657	0.016	4	109.4656	0.002	58	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4593	0.024	6	109.4656	0.002	58	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	H(CC[5]HH)	109.4780	0.021	7	109.4656	0.002	58	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CH)(N[5]O[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CH)(N[5]O[5])(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4724	0.027	5	109.4724	0.001	5	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4783	0.024	15	109.4734	0.001	20	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4586	0.030	5	109.4734	0.001	20	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4751	0.035	12	109.4744	0.001	14	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4705	0.040	2	109.4744	0.001	14	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CS)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CS)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4475	0.012	2	109.4475	0.000	2	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]C[5,6])(CH3){2|C<3>,2|H<1>}	H(CC[5]HH)	110.3660	2.686	6	110.3660	7.217	6	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]C[5])(CH3){1|Re<7>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.1017	0.699	3	109.1017	0.489	3	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4473	0.035	3	109.5830	0.474	64	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[5]HH)	109.4638	0.028	12	109.5830	0.474	64	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,2|C<4>}	H(CC[5]HH)	110.0986	0.839	8	109.5830	0.474	64	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4652	0.033	23	109.5830	0.474	64	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|O<2>,2|C<3>}	H(CC[5]HH)	109.4778	0.022	15	109.5830	0.474	64	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|S<4>,2|C<4>}	H(CC[5]HH)	110.2497	3.217	3	109.5830	0.474	64	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HN)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HN)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4787	0.041	3	109.4787	0.002	3	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|N<2>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4757	0.063	3	109.4625	0.002	6	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	H(CC[5]HH)	109.4493	0.033	3	109.4625	0.002	6	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	H(CC[5]HH)	109.4847	0.037	4	109.4847	0.001	4	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5x3,5x5,20x6]C[5,6a]C)(N[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5x3,5x5,20x6]C[5,6a]C)(N[5]C[5,6a])(CH3){1|C<6>,2|C<3>,4|B<6>}	H(CC[5]HH)	109.4685	0.021	2	109.4685	0.000	2	109.5226	0.333	219	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]RuH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]RuH)(O[5]C[5])(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.5380	0.052	3	109.5380	0.003	3	109.5074	0.013	8	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4877	0.198	3	109.4890	0.020	5	109.5074	0.013	8	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3){1|C<4>}	H(CC[5]HH)	109.4910	0.047	2	109.4890	0.020	5	109.5074	0.013	8	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:N[5]-2:C-4:	C-4:	C(C[5]N[5]P[5])(H)3	C[5](P[5]C[5]CC)(N[5]B[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]P[5])(H)3	C[5](P[5]C[5]CC)(N[5]B[5])(CH3){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4813	0.033	3	109.4813	0.001	3	109.4890	0.001	5	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:2:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:N[5]-2:C-4:	C-4:	C(C[5]N[5]P[5])(H)3	C[5](P[5]P[5]CC)(N[5]P[5])(CH3)	H(CC[5]HH)	C(C[5]N[5]P[5])(H)3	C[5](P[5]P[5]CC)(N[5]P[5])(CH3){2|C<4>}	H(CC[5]HH)	109.5005	0.006	2	109.5005	0.000	2	109.4890	0.001	5	109.4984	0.203	402	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:Br-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(Br)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH)	H(CC[5]BrH)	C(C[5]C[5]2)(Br)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH){2|H<1>,2|O<1>}	H(CC[5]BrH)	109.5128	0.280	6	109.5128	0.078	6	109.5128	0.078	6	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:Br-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]S[5])(Br)(H)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CBrHH)	H(CC[5]BrH)	C(C[5]C[5]S[5])(Br)(H)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CBrHH){2|C<3>}	H(CC[5]BrH)	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:Cl-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(Cl)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH)	H(CC[5]ClH)	C(C[5]C[5]2)(Cl)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH){1|S<4>,2|H<1>,4|C<3>}	H(CC[5]ClH)	109.3980	0.014	2	109.3980	0.000	2	109.3980	0.000	2	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(C[5]B[5]C[5])(H)3	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(CH3)	H(CC[5]HH)	C(C[5]B[5]C[5])(H)3	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(CH3){1|C<4>,2|H<1>,7|C<3>}	H(CC[5]HH)	109.4258	0.030	6	109.4258	0.001	6	109.4258	0.001	6	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|P<4>,3|C<4>}	H(CC[5]HH)	112.8443	2.787	4	112.8443	7.766	4	109.8786	1.856	35	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5,5]P[3,5]C)(C[5]C[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5,5]P[3,5]C)(C[5]C[5,5]C)(CH3){1|N<3>,1|W<6>,3|C<4>}	H(CC[5]HH)	109.4577	0.024	3	109.4577	0.001	3	109.8786	1.856	35	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]C)(CH3){1|Hf<11>,2|N<3>,3|H<1>}	H(CC[5]HH)	109.4980	0.041	2	109.4980	0.002	2	109.8786	1.856	35	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4410	0.029	3	109.4410	0.001	3	109.8786	1.856	35	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){2|Fe<6>,2|C<4>,2|S<3>}	H(CC[5]HH)	109.4832	0.033	4	109.4684	0.001	8	109.8786	1.856	35	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){3|C<4>}	H(CC[5]HH)	109.4535	0.039	4	109.4684	0.001	8	109.8786	1.856	35	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Rh<8>,2|C<4>}	H(CC[5]HH)	109.5352	0.047	12	109.5289	0.002	15	109.8786	1.856	35	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Ru<8>,2|C<4>}	H(CC[5]HH)	109.5040	0.051	3	109.5289	0.002	15	109.8786	1.856	35	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[3,5]N[5])(H)3	C[5](C[3,5]C[3]2C[5])(N[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]N[5])(H)3	C[5](C[3,5]C[3]2C[5])(N[5]N[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4853	0.034	3	109.4853	0.001	3	109.4853	0.001	3	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[3x5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[3x5]C[5])(H)3	C[5](C[3x5]C[5,6,6]C[3x5]O[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[3x5]C[5])(H)3	C[5](C[3x5]C[5,6,6]C[3x5]O[5])(C[5]C[5]C)(CH3){1|B<3>,1|H<1>,3|C<4>,3|O<2>}	H(CC[5]HH)	109.4873	0.042	3	109.4873	0.002	3	109.4873	0.002	3	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[4,5,6]C[5])(H)3	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[4,5,6]C[5])(H)3	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3){1|Cl<1>,1|P<3>,4|C<4>}	H(CC[5]HH)	109.5107	0.046	3	109.4434	0.009	9	109.4434	0.009	9	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[4,5,6]C[5])(H)3	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[4,5,6]C[5])(H)3	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3){1|Ga<4>,1|P<3>,4|C<4>}	H(CC[5]HH)	109.4930	0.052	3	109.4434	0.009	9	109.4434	0.009	9	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[4,5,6]C[5])(H)3	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[4,5,6]C[5])(H)3	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3){1|I<1>,1|P<3>,4|C<4>}	H(CC[5]HH)	109.3267	0.025	3	109.4434	0.009	9	109.4434	0.009	9	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[4,5]C[5])(H)3	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[4,5]C[5])(H)3	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CH3){1|Si<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	112.8357	1.069	3	112.8357	1.142	3	110.5681	3.179	9	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[4,5]C[5])(H)3	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[4,5]C[5])(H)3	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4440	0.017	3	109.4440	0.000	3	110.5681	3.179	9	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[4,5]C[5])(H)3	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[4,5]C[5])(H)3	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]H)(CH3){2|C<4>,4|H<1>}	H(CC[5]HH)	109.4247	0.065	3	109.4247	0.004	3	110.5681	3.179	9	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,3x6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,3x6]C[5])(H)3	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,3x6]C[5])(H)3	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.4597	0.038	3	109.4770	0.001	9	109.4770	0.001	9	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,3x6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,3x6]C[5])(H)3	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,3x6]C[5])(H)3	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(CC[5]HH)	109.4857	0.036	6	109.4770	0.001	9	109.4770	0.001	9	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	H(CC[5]HH)	109.4592	0.074	9	109.4592	0.006	9	109.4661	0.004	12	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	H(CC[5]HH)	109.4867	0.023	3	109.4867	0.001	3	109.4661	0.004	12	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2C)(C[5]P[5]H)(CH3){1|Pt<4>,1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4627	0.054	3	109.4627	0.003	3	109.6147	0.346	29	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CH3)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(CC[5]HH)	109.4930	0.062	3	109.4930	0.004	3	109.6147	0.346	29	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.4659	0.059	8	109.4659	0.004	8	109.6147	0.346	29	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(CH3){1|O<1>,2|O<2>,3|C<4>}	H(CC[5]HH)	110.8260	1.537	3	110.8260	2.362	3	109.6147	0.346	29	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(CC[5]HH)	109.4867	0.041	3	109.4867	0.002	3	109.6147	0.346	29	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]Si)(CH3)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]Si)(CH3){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	H(CC[5]HH)	109.4907	0.022	3	109.4907	0.001	3	109.6147	0.346	29	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]P[3x5,6]H)(C[5]C[5,5,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]P[3x5,6]H)(C[5]C[5,5,6]C)(CH3){1|C<3>,1|C<4>,1|P<4>,1|S<2>,1|W<6>,2|H<1>}	H(CC[5]HH)	109.4702	0.023	6	109.4702	0.001	6	109.6147	0.346	29	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5,5,6]N[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,5,6]N[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]O[5]O)(CH3){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(CC[5]HH)	109.4330	0.038	6	109.4330	0.001	6	109.4330	0.001	6	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-3:C-4:	C-4:	C(C[5]C[5,5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4563	0.010	3	109.4563	0.000	3	109.4563	0.000	3	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4875	0.059	2	109.4875	0.003	2	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|P<4>,2|C<4>}	H(CC[5]HH)	109.4307	0.063	3	109.4307	0.004	3	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3){1|O<2>,1|W<6>,4|C<4>}	H(CC[5]HH)	111.1510	2.243	6	111.1510	5.029	6	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]H)(CH3){3|H<1>,4|C<4>}	H(CC[5]HH)	113.8910	0.467	3	113.8910	0.218	3	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(CH3){2|H<1>,2|O<2>,3|C<4>}	H(CC[5]HH)	109.4952	0.048	4	109.4952	0.002	4	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	H(CC[5]HH)	109.4830	0.010	2	109.4830	0.000	2	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>,3|O<2>}	H(CC[5]HH)	109.4670	0.008	2	109.4670	0.000	2	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	H(CC[5]HH)	109.4583	0.024	9	109.4583	0.001	9	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3){1|C<4>,5|C<3>}	H(CC[5]HH)	109.4830	0.011	3	109.4830	0.000	3	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4764	0.039	5	109.4766	0.001	23	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4767	0.034	18	109.4766	0.001	23	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>}	H(CC[5]HH)	111.0050	1.576	6	111.0050	2.484	6	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4775	0.012	2	109.4775	0.000	2	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4965	0.021	2	109.4965	0.000	2	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3){1|C<4>,6|C<3>}	H(CC[5]HH)	109.4968	0.031	5	109.4968	0.001	5	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,1|W<6>,4|C<3>}	H(CC[5]HH)	109.4560	0.031	3	109.4560	0.001	3	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	H(CC[5]HH)	109.4472	0.030	5	109.4472	0.001	5	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	H(CC[5]HH)	109.4750	0.014	2	109.4750	0.000	2	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	H(CC[5]HH)	109.5083	0.040	4	109.5083	0.002	4	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]S[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]S[5]C)(CH3){3|C<4>}	H(CC[5]HH)	109.3993	3.894	3	109.3993	15.166	3	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	H(CC[5]HH)	109.4639	0.051	9	109.4639	0.003	9	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.4607	0.034	3	109.4607	0.001	3	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3){1|W<6>,1|W<8>,4|C<4>}	H(CC[5]HH)	109.4587	0.049	3	109.4587	0.002	3	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3){1|N<3>,1|P<3>,3|C<4>}	H(CC[5]HH)	111.7580	0.150	4	111.7580	0.023	4	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	H(CC[5]HH)	109.4770	0.044	2	109.4770	0.002	2	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3){1|H<1>,3|C<4>,3|O<2>}	H(CC[5]HH)	109.4770	0.074	2	109.4770	0.005	2	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(CC[5]HH)	109.4784	0.046	9	109.4784	0.002	9	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4692	0.037	5	109.4692	0.001	5	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4750	0.018	2	109.4750	0.000	2	109.7968	1.304	128	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	H(CC[5]HH)	109.4861	0.040	7	109.4861	0.002	7	109.4842	0.001	17	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	H(CC[5]HH)	109.4793	0.040	8	109.4793	0.002	8	109.4842	0.001	17	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4970	0.007	2	109.4970	0.000	2	109.4842	0.001	17	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(CC[5]HH)	109.4822	0.044	9	109.4822	0.002	9	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(CH3){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4710	0.038	3	109.4710	0.001	3	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|O<2>,2|C<3>,4|H<1>}	H(CC[5]HH)	109.4870	0.000	1	109.4870	0.000	1	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3){2|C<4>,5|H<1>}	H(CC[5]HH)	109.4767	0.029	3	109.4767	0.001	3	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,5|H<1>}	H(CC[5]HH)	109.4777	0.013	3	109.4765	0.000	6	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4753	0.013	3	109.4765	0.000	6	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3){1|P<3>,3|H<1>,4|C<3>}	H(CC[5]HH)	109.4503	0.026	3	109.4503	0.001	3	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3){1|W<6>,4|C<3>}	H(CC[5]HH)	109.4885	0.006	2	109.4885	0.000	2	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4838	0.022	4	109.4830	0.001	11	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4707	0.017	4	109.4830	0.001	11	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){2|O<1>,3|C<4>}	H(CC[5]HH)	109.4983	0.039	3	109.4830	0.001	11	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4532	0.030	5	109.4532	0.001	5	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4703	0.012	3	109.4777	0.001	6	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4850	0.038	3	109.4777	0.001	6	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3){2|C<4>,2|O<2>,3|H<1>}	H(CC[5]HH)	109.4750	0.052	2	109.4750	0.003	2	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4480	0.024	3	109.4480	0.001	3	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3){1|Se<2>,1|C<3>,1|C<4>}	H(CC[5]HH)	114.3527	2.585	3	114.3527	6.682	3	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]HH)	110.4830	0.733	6	110.4830	0.537	6	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(CC[5]HH)	109.4703	0.014	3	109.4703	0.000	3	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4748	0.014	5	109.4748	0.000	5	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(CC[5]HH)	109.4840	0.004	2	109.4892	0.000	5	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(CC[5]HH)	109.4927	0.016	3	109.4892	0.000	5	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4533	0.043	3	109.4533	0.002	3	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	H(CC[5]HH)	109.4617	0.026	8	109.4617	0.001	8	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.4837	0.020	3	109.4837	0.000	3	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4743	0.032	6	109.4621	0.001	9	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HH)	109.4377	0.011	3	109.4621	0.001	9	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4890	0.016	2	109.4890	0.000	2	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(CC[5]HH)	109.4702	0.027	4	109.4702	0.001	4	109.6696	0.862	105	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]O[5,6]C[6a]C[6])(N[5]C[5,6]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]O[5,6]C[6a]C[6])(N[5]C[5,6]O)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4648	0.054	6	109.4648	0.003	6	109.4648	0.003	6	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5,6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5x3,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5x3,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Si<4>,1|C<5>,1|H<1>,2|C<3>,4|B<6>}	H(CC[5]HH)	109.5143	0.048	3	109.5143	0.002	3	109.5143	0.002	3	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4990	0.025	2	109.4990	0.001	2	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3){7|C<4>}	H(CC[5]HH)	109.4760	0.059	14	109.4760	0.003	14	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]H)(CH3){2|C<4>,2|O<2>,3|H<1>}	H(CC[5]HH)	109.4780	0.043	9	109.4780	0.002	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(CH3){1|Hf<11>,1|C<5>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4460	0.006	2	109.4460	0.000	2	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(CH3){2|C<4>,2|H<1>}	H(CC[5]HH)	109.5033	0.027	3	109.5033	0.001	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Hf<9>,2|C<4>}	H(CC[5]HH)	109.4568	0.106	5	109.4570	0.003	21	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	H(CC[5]HH)	109.4606	0.026	8	109.4570	0.003	21	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Ti<8>,2|C<4>}	H(CC[5]HH)	109.4720	0.038	3	109.4570	0.003	21	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Zr<9>,2|C<4>}	H(CC[5]HH)	109.4426	0.039	5	109.4570	0.003	21	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4540	0.021	3	109.4540	0.000	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CW)(C[5]C[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CW)(C[5]C[5,5]C)(CH3){1|P<4>,3|C<4>}	H(CC[5]HH)	109.4287	0.052	3	109.4287	0.003	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4735	0.025	8	109.4735	0.001	8	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]HH)	109.4683	0.009	3	109.4683	0.000	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4570	0.048	3	109.4570	0.002	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4930	0.069	3	109.4930	0.005	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]SnC)(C[5]C[5,5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]SnC)(C[5]C[5,5]C)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	110.6124	1.229	9	110.6124	1.511	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(CH3){2|C<4>,2|H<1>}	H(CC[5]HH)	108.7360	2.589	3	108.7360	6.701	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(CH3){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4816	0.035	5	109.4816	0.001	5	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3){2|C<3>}	H(CC[5]HH)	109.4713	0.062	3	109.4713	0.004	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4655	0.077	11	109.4658	0.005	13	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	H(CC[5]HH)	109.4675	0.009	2	109.4658	0.005	13	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]H)(CH3){1|Cr<9>,1|C<3>,1|H<1>,3|C<4>}	H(CC[5]HH)	109.4777	0.042	3	109.4777	0.002	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[5]HH)	109.4667	0.030	3	109.4677	0.001	11	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3){1|Cr<9>,2|C<4>}	H(CC[5]HH)	109.4681	0.027	8	109.4677	0.001	11	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4422	0.048	13	109.4538	0.002	21	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	H(CC[5]HH)	109.4726	0.022	8	109.4538	0.002	21	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[5]HH)	109.4650	0.043	5	109.4650	0.002	5	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]PdH)(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]PdH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	H(CC[5]HH)	109.8510	1.536	25	109.8510	2.359	25	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]AlSi)(C[5]C[5,6a]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]AlSi)(C[5]C[5,6a]C)(CH3){2|C<3>}	H(CC[5]HH)	109.4830	0.021	4	109.4830	0.000	4	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3){2|C<3>}	H(CC[5]HH)	109.4654	0.035	5	109.4654	0.001	5	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4530	0.025	6	109.4530	0.001	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3){4|C<3>}	H(CC[5]HH)	109.4696	0.026	10	109.4696	0.001	10	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3){2|C<3>}	H(CC[5]HH)	109.4713	0.053	3	109.4713	0.003	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CH3){2|C<3>}	H(CC[5]HH)	109.4600	0.022	3	109.4600	0.000	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3){2|C<3>}	H(CC[5]HH)	109.4910	0.010	2	109.4910	0.000	2	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]C)(CH3){1|C<4>,3|C<3>}	H(CC[5]HH)	109.4723	0.013	3	109.4723	0.000	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3){2|C<3>}	H(CC[5]HH)	109.8961	1.205	9	109.8961	1.452	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3){1|C<4>,4|C<3>}	H(CC[5]HH)	109.4640	0.039	3	109.4640	0.002	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4780	0.010	4	109.4780	0.000	4	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4752	0.027	9	109.4764	0.001	16	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]HH)	109.4905	0.025	4	109.4764	0.001	16	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4613	0.023	3	109.4764	0.001	16	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4870	0.043	5	109.4836	0.001	36	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4830	0.037	31	109.4836	0.001	36	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4670	0.047	5	109.4670	0.002	5	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4702	0.054	9	109.4702	0.003	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4855	0.040	11	109.4855	0.002	11	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4769	0.054	22	109.4769	0.003	22	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]BiC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]BiC)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4617	0.031	4	109.4617	0.001	4	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4393	0.023	3	109.7201	0.694	28	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4520	0.014	3	109.7201	0.694	28	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.7950	0.930	22	109.7201	0.694	28	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CH3){4|H<1>}	H(CC[5]HH)	109.4547	0.034	3	109.4547	0.001	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4670	0.019	3	109.9085	6.084	23	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|P<4>}	H(CC[5]HH)	109.4580	0.068	2	109.9085	6.084	23	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<4>}	H(CC[5]HH)	111.1427	4.929	6	109.9085	6.084	23	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4880	0.025	4	109.9085	6.084	23	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4712	0.021	8	109.9085	6.084	23	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4825	0.043	6	109.4864	0.001	11	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4880	0.034	2	109.4864	0.001	11	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){4|H<1>}	H(CC[5]HH)	109.4930	0.012	3	109.4864	0.001	11	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4380	0.034	3	109.4380	0.001	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4700	0.030	5	109.4700	0.001	5	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4870	0.064	3	109.4870	0.004	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4840	0.025	7	109.4727	0.001	16	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4639	0.041	9	109.4727	0.001	16	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4770	0.385	28	109.4770	0.148	28	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]DyC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]DyC)(C[5]C[5]C)(CH3){1|C<4>,1|H<2>}	H(CC[5]HH)	112.3288	1.675	6	112.3288	2.806	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]DyH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]DyH)(C[5]C[5]C)(CH3){1|C<4>,1|C<5>}	H(CC[5]HH)	112.6713	2.226	6	112.6713	4.955	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4782	0.059	86	109.4782	0.003	86	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	110.4172	1.376	12	110.4172	1.892	12	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5]HH)	109.4793	0.017	3	109.4720	0.001	10	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]HH)	109.4594	0.025	5	109.4720	0.001	10	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]HH)	109.4925	0.025	2	109.4720	0.001	10	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>}	H(CC[5]HH)	109.4883	0.024	3	109.4716	0.001	22	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4510	0.004	2	109.4716	0.001	22	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4725	0.025	2	109.4716	0.001	22	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<5>,1|H<1>}	H(CC[5]HH)	109.4637	0.012	3	109.4716	0.001	22	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>}	H(CC[5]HH)	109.4753	0.033	3	109.4716	0.001	22	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4720	0.049	5	109.4716	0.001	22	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|Ti<10>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4715	0.031	4	109.4716	0.001	22	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4815	0.030	6	109.4815	0.001	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.3980	0.033	3	109.4441	0.002	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4593	0.030	3	109.4441	0.002	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4750	0.034	3	109.4441	0.002	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HN)(C[5]S[5]Br)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HN)(C[5]S[5]Br)(CH3){2|H<1>,2|O<1>}	H(CC[5]HH)	109.4477	0.021	3	109.4477	0.000	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4767	0.031	3	109.4785	0.001	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4803	0.029	3	109.4785	0.001	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4636	0.020	5	109.4636	0.000	5	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HgSi)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HgSi)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4627	0.041	35	109.4627	0.002	35	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4949	0.078	28	109.4949	0.006	28	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4453	0.050	12	109.4453	0.003	12	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4772	0.046	8	109.4772	0.002	8	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]LuC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]LuC)(C[5]C[5]C)(CH3){1|C<4>,1|H<2>}	H(CC[5]HH)	109.4627	0.047	6	109.4627	0.002	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]LuH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]LuH)(C[5]C[5]C)(CH3){1|C<4>,1|C<5>}	H(CC[5]HH)	109.4966	0.044	5	109.4966	0.002	5	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[5]HH)	109.0563	5.662	3	109.0563	32.060	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[5]HH)	111.4237	3.095	3	111.4237	9.582	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,1|W<6>,2|C<4>}	H(CC[5]HH)	109.4855	0.044	6	109.4742	0.001	75	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.4751	0.034	21	109.4742	0.001	75	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.4724	0.030	16	109.4742	0.001	75	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	H(CC[5]HH)	109.4723	0.039	32	109.4742	0.001	75	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	H(CC[5]HH)	109.4700	0.043	6	109.4700	0.002	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	H(CC[5]HH)	109.4578	0.038	4	109.4768	0.002	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	H(CC[5]HH)	109.4920	0.046	5	109.4768	0.002	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4538	0.057	5	109.4435	0.417	11	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	H(CC[5]HH)	109.4350	0.912	6	109.4435	0.417	11	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbH)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4592	0.024	9	109.4592	0.001	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbSi)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbSi)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	112.4123	0.758	6	112.4123	0.575	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.9819	1.326	31	109.9819	1.757	31	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4714	0.030	15	109.4714	0.001	15	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4738	0.039	44	109.4738	0.002	44	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	H(CC[5]HH)	109.4540	0.015	3	109.4540	0.000	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4670	0.028	6	109.4670	0.001	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4575	0.043	2	109.4575	0.002	2	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CH3){5|C<3>}	H(CC[5]HH)	109.4721	0.028	7	109.4721	0.001	7	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3){1|O<1>,3|C<3>,3|C<4>}	H(CC[5]HH)	109.4720	0.013	2	109.4720	0.000	2	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	H(CC[5]HH)	109.4727	0.026	4	109.4727	0.001	4	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CH3){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(CC[5]HH)	110.9530	0.425	3	110.9530	0.180	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4637	0.023	3	109.4679	0.001	7	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4710	0.029	4	109.4679	0.001	7	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4803	0.048	3	109.4803	0.002	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4757	0.032	3	109.4757	0.001	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3){2|H<1>,3|C<3>}	H(CC[5]HH)	109.4730	0.026	6	109.4730	0.001	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CH3){1|S<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4717	0.019	3	109.4717	0.000	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CH3){2|O<1>,3|C<3>}	H(CC[5]HH)	111.6687	8.670	3	111.6687	75.175	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Ga<4>,2|C<4>,2|N<3>}	H(CC[5]HH)	109.4822	0.042	5	109.4822	0.002	5	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){4|C<4>}	H(CC[5]HH)	109.4455	0.032	4	109.4455	0.001	4	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|C<4>,3|N<3>}	H(CC[5]HH)	109.4565	0.044	4	109.4723	0.003	26	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,1|C<3>,2|C<4>}	H(CC[5]HH)	109.4653	0.047	9	109.4723	0.003	26	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,3|C<4>}	H(CC[5]HH)	109.4821	0.064	13	109.4723	0.003	26	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3){1|As<3>,2|C<4>,2|N<3>}	H(CC[5]HH)	109.4770	0.000	1	109.4770	0.000	1	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3){1|B<4>,2|H<1>,2|N<3>}	H(CC[5]HH)	109.4735	0.124	6	109.4735	0.015	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4678	0.030	6	109.4739	0.001	15	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4597	0.018	4	109.4739	0.001	15	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	H(CC[5]HH)	109.4924	0.038	5	109.4739	0.001	15	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3){1|C<4>}	H(CC[5]HH)	109.4547	0.019	3	109.4547	0.000	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>}	H(CC[5]HH)	109.4353	0.332	3	109.4453	0.045	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4553	0.057	3	109.4453	0.045	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4763	0.035	3	109.4763	0.001	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3){1|C<4>}	H(CC[5]HH)	109.4547	0.023	3	109.4547	0.001	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	111.0797	1.630	3	111.0797	2.656	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CY)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CY)(C[5]C[5]C)(CH3){1|C<4>}	H(CC[5]HH)	109.4678	0.035	6	109.4678	0.001	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4410	0.039	3	109.4741	0.002	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4956	0.041	5	109.4741	0.002	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4660	0.000	1	109.4741	0.002	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]SmC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]SmC)(C[5]C[5]C)(CH3){1|C<4>}	H(CC[5]HH)	109.4322	0.054	6	109.4322	0.003	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]TiH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]TiH)(C[5]C[5]C)(CH3){1|C<4>}	H(CC[5]HH)	109.4640	0.215	2	109.4640	0.046	2	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]TiH)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]TiH)(C[5]C[5]H)(CH3){1|C<4>}	H(CC[5]HH)	109.4837	0.060	3	109.4837	0.004	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4650	0.032	6	109.4650	0.001	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3){1|C<3>}	H(CC[5]HH)	110.2173	0.343	3	110.2173	0.118	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4888	0.301	6	109.4888	0.091	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4750	0.023	2	109.4750	0.001	2	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,1|W<6>,3|C<4>}	H(CC[5]HH)	109.4962	0.061	6	109.4962	0.004	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,3|C<4>}	H(CC[5]HH)	109.4922	0.035	4	109.4922	0.001	4	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4829	0.040	10	109.4829	0.002	10	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4762	0.045	5	109.4762	0.002	5	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	H(CC[5]HH)	109.4613	0.019	3	109.4688	0.001	18	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4860	0.036	4	109.4688	0.001	18	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|N<2>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4645	0.030	11	109.4688	0.001	18	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3){1|B<3>,1|C<2>,1|C<3>}	H(CC[5]HH)	109.4827	0.037	3	109.4772	0.001	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4717	0.013	3	109.4772	0.001	6	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]PbC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]PbC)(C[5]C[5]C)(CH3){1|C<4>}	H(CC[5]HH)	109.4446	0.043	5	109.4446	0.002	5	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|O<1>}	H(CC[5]HH)	109.4747	0.019	3	109.4747	0.000	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Si<5>,1|N<3>,2|C<4>,2|O<2>}	H(CC[5]HH)	109.4655	0.028	8	109.4655	0.001	8	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3){1|Si<4>,4|C<4>}	H(CC[5]HH)	112.2500	1.246	3	112.2500	1.552	3	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|B<4>,2|C<4>,2|N<3>}	H(CC[5]HH)	109.4930	0.022	6	109.4765	0.001	19	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|S<1>,2|C<4>,2|N<3>}	H(CC[5]HH)	109.4657	0.015	3	109.4765	0.001	19	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Se<1>,2|C<4>,2|N<3>}	H(CC[5]HH)	109.4710	0.000	1	109.4765	0.001	19	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Te<1>,2|C<4>,2|N<3>}	H(CC[5]HH)	109.4785	0.014	4	109.4765	0.001	19	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Zn<4>,2|C<4>,2|N<3>}	H(CC[5]HH)	109.4626	0.033	5	109.4765	0.001	19	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){1|Ir<6>,2|C<4>,2|N<3>}	H(CC[5]HH)	109.4860	0.057	4	109.4832	0.002	5	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	H(CC[5]HH)	109.4720	0.000	1	109.4832	0.002	5	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	H(CC[5]HH)	109.4682	0.033	4	109.4682	0.001	4	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){1|Si<4>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4368	0.025	5	109.4557	0.001	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	H(CC[5]HH)	109.4793	0.021	4	109.4557	0.001	9	109.5973	0.724	1199	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	H(CC[5]HH)	109.4732	0.031	19	109.4732	0.001	19	109.4756	0.014	47	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Pd)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Pd)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4800	0.016	3	109.4800	0.000	3	109.4756	0.014	47	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]C[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]C[5]W)(CH3){4|H<1>}	H(CC[5]HH)	109.4823	0.017	3	109.4823	0.000	3	109.4756	0.014	47	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]Ge[5]N)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]Ge[5]N)(CH3){1|Te<1>,1|Te<2>,2|C<4>}	H(CC[5]HH)	109.4998	0.070	5	109.5014	0.008	10	109.4756	0.014	47	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]Ge[5]N)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]Ge[5]N)(CH3){2|Te<1>,2|C<4>}	H(CC[5]HH)	109.5030	0.111	5	109.5014	0.008	10	109.4756	0.014	47	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5]B)(CH3){1|C<4>,1|W<6>}	H(CC[5]HH)	109.4367	0.042	3	109.4367	0.002	3	109.4756	0.014	47	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5]W)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	H(CC[5]HH)	109.4870	0.028	3	109.4870	0.001	3	109.4756	0.014	47	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3){1|C<3>,1|O<3>}	H(CC[5]HH)	109.4193	0.085	3	109.4193	0.007	3	109.4756	0.014	47	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4773	0.512	3	109.4773	0.262	3	109.4756	0.014	47	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	Ge[5]-4:P[5]-3:C-4:	C-4:	C(C[5]Ge[5]P[5])(H)3	C[5](Ge[5]P[5]CC)(P[5]C[5]W)(CH3)	H(CC[5]HH)	C(C[5]Ge[5]P[5])(H)3	C[5](Ge[5]P[5]CC)(P[5]C[5]W)(CH3){1|C<4>,1|W<6>}	H(CC[5]HH)	109.5050	0.053	3	109.4867	0.002	6	109.4867	0.002	6	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	Ge[5]-4:P[5]-3:C-4:	C-4:	C(C[5]Ge[5]P[5])(H)3	C[5](Ge[5]P[5]CC)(P[5]C[5]W)(CH3)	H(CC[5]HH)	C(C[5]Ge[5]P[5])(H)3	C[5](Ge[5]P[5]CC)(P[5]C[5]W)(CH3){1|C<4>}	H(CC[5]HH)	109.4683	0.026	3	109.4867	0.002	6	109.4867	0.002	6	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]BY)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]BY)(C[5]C[5]H)(CH3){1|C<4>}	H(CC[5]HH)	109.4958	0.052	12	109.4958	0.003	12	109.4795	0.002	29	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]CY)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]CY)(C[5]C[5]H)(CH3){1|C<4>}	H(CC[5]HH)	109.4568	0.031	9	109.4568	0.001	9	109.4795	0.002	29	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]RhC)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]N[5]RhC)(C[5]C[5]H)(CH3){1|C<4>}	H(CC[5]HH)	109.4868	0.044	6	109.4868	0.002	6	109.4795	0.002	29	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(H)3	C[5](N[5]O[5]HH)(C[5]C[5]N)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	C[5](N[5]O[5]HH)(C[5]C[5]N)(CH3){1|C<3>}	H(CC[5]HH)	109.4615	0.021	2	109.4615	0.000	2	109.4795	0.002	29	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](P[5]C[5]Co2)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](P[5]C[5]Co2)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4767	0.013	3	109.4767	0.000	3	109.4652	0.001	25	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](P[5]C[5]RhC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](P[5]C[5]RhC)(C[5]C[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4577	0.020	6	109.4577	0.000	6	109.4652	0.001	25	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](P[5]C[5a]C[5]Pd)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](P[5]C[5a]C[5]Pd)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.4670	0.038	12	109.4670	0.001	12	109.4652	0.001	25	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	H(CC[5]HH)	109.4625	0.031	4	109.4625	0.001	4	109.4652	0.001	25	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(CH3){1|C<3>,1|S<2>}	H(CC[5]HH)	109.8132	3.440	4	109.8132	11.836	4	109.6686	5.951	7	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]S[5])(H)3	C[5](S[5]C[5,6]OO)(C[5]C[5,6]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	C[5](S[5]C[5,6]OO)(C[5]C[5,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4757	0.029	3	109.4757	0.001	3	109.6686	5.951	7	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:3:4:	4:	C[5]-3:H-1:H-1:H-1:	Si[5]-4:C[5]-3:C-4:	C-4:	C(C[5]Si[5]C[5])(H)3	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]Si[5]C[5])(H)3	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3){6|C<3>}	H(CC[5]HH)	109.4605	0.063	6	109.4605	0.004	6	109.4605	0.004	6	109.6135	0.747	1711	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:4:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3){4|H<1>}	H(CC[5]HH)	109.4940	0.011	3	109.4940	0.000	3	109.4940	0.000	3	109.4333	0.011	8	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	4:4:4:	4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5]P[5])(H)3	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.3968	0.124	5	109.3968	0.015	5	109.3968	0.015	5	109.4333	0.011	8	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	5:3:4:	4:	C[5]-3:H-1:H-1:H-1:	Nb[5]-5:C[5]-3:C-4:	C-4:	C(C[5]Nb[5]C[5])(H)3	C[5](Nb[5]N[5]N[6]NN)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]Nb[5]C[5])(H)3	C[5](Nb[5]N[5]N[6]NN)(C[5]C[5]H)(CH3){1|C<4>,3|C<3>}	H(CC[5]HH)	109.5000	0.036	3	109.5000	0.001	3	109.5000	0.001	3	109.5000	0.001	3	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	6:3:4:	4:	C[5]-3:H-1:H-1:H-1:	B[5x3,3x5,6]-6:C[5]-3:C-4:	C-4:	C(C[5]B[5x3,3x5,6]C[5])(H)3	C[5](B[5x3,3x5,6]B[3x3,5,5,4x6]2C[3,3,5,5,3x6]B[5x3,5,5,6]2)(C[5]O[5]H)(CH3)	H(CC[5]HH)	C(C[5]B[5x3,3x5,6]C[5])(H)3	C[5](B[5x3,3x5,6]B[3x3,5,5,4x6]2C[3,3,5,5,3x6]B[5x3,5,5,6]2)(C[5]O[5]H)(CH3){1|Fe<8>,1|C<5>,2|B<5>,4|H<1>}	H(CC[5]HH)	109.4693	0.033	3	109.4693	0.001	3	109.4693	0.001	3	109.4720	0.001	20	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	6:3:4:	4:	C[5]-3:H-1:H-1:H-1:	B[5x3,6x5]-6:C[5]-3:C-4:	C-4:	C(C[5]B[5x3,6x5]C[5])(H)3	C[5](B[5x3,6x5]B[3x3,5x5,6,6]2B[5x3,4,3x5,6]2C[3,3,3x5,6,6])(C[5]O[5]H)(CH3)	H(CC[5]HH)	C(C[5]B[5x3,6x5]C[5])(H)3	C[5](B[5x3,6x5]B[3x3,5x5,6,6]2B[5x3,4,3x5,6]2C[3,3,3x5,6,6])(C[5]O[5]H)(CH3){1|Fe<8>,1|C<5>,2|B<6>,4|H<1>}	H(CC[5]HH)	109.4627	0.027	3	109.4627	0.001	3	109.4627	0.001	3	109.4720	0.001	20	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	6:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3){1|C<3>,5|B<6>,5|H<1>}	H(CC[5]HH)	109.4920	0.033	3	109.4920	0.001	3	109.4733	0.001	8	109.4720	0.001	20	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	6:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]H)(CH3){1|C<4>,4|H<1>,5|B<6>}	H(CC[5]HH)	109.4427	0.016	3	109.4427	0.000	3	109.4733	0.001	8	109.4720	0.001	20	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	6:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]S[5]H)(CH3){4|H<1>,5|B<6>}	H(CC[5]HH)	109.4910	0.040	2	109.4910	0.002	2	109.4733	0.001	8	109.4720	0.001	20	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	6:3:4:	4:	C[5]-3:H-1:H-1:H-1:	Nb[3,3,5]-6:C[5]-3:C-4:	C-4:	C(C[5]Nb[3,3,5]C[5])(H)3	C[5](Nb[3,3,5]Nb[3,3,5]N[5]O[3]2N)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]Nb[3,3,5]C[5])(H)3	C[5](Nb[3,3,5]Nb[3,3,5]N[5]O[3]2N)(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(CC[5]HH)	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.4720	0.001	20	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:1:1:1:	6:3:4:	4:	C[5]-3:H-1:H-1:H-1:	Nb[3,5,5]-6:C[5]-3:C-4:	C-4:	C(C[5]Nb[3,5,5]C[5])(H)3	C[5](Nb[3,5,5]C[3,5]N[3]N[5]O[5]N)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]Nb[3,5,5]C[5])(H)3	C[5](Nb[3,5,5]C[3,5]N[3]N[5]O[5]N)(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(CC[5]HH)	109.4790	0.039	5	109.4790	0.002	5	109.4790	0.002	5	109.4720	0.001	20	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	2:2:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-2:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(OC[5])(H)2	C[5](C[5]N[5])(N[5]N[5])(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[5])(H)2	C[5](C[5]N[5])(N[5]N[5])(CHHO){1|C<4>}	H(CC[5]HO)	109.4300	0.066	2	109.4300	0.004	2	109.4300	0.004	2	109.9819	0.506	7	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	2:2:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(OC[6a])(H)2	C[5](N[5]N[5])(O[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]N[5]O[5])(OC[6a])(H)2	C[5](N[5]N[5])(O[5]C[5])(CHHO){1|H<1>,1|S<1>}	H(CC[5]HO)	110.5250	0.183	4	110.5250	0.033	4	110.5250	0.033	4	109.9819	0.506	7	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	2:2:4:	4:	C[5]-3:S-2:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(SC[6a])(H)2	C[5](N[5]N[5])(O[5]C[5])(CHHS)	H(CC[5]HS)	C(C[5]N[5]O[5])(SC[6a])(H)2	C[5](N[5]N[5])(O[5]C[5])(CHHS){1|C<4>,1|S<1>}	H(CC[5]HS)	108.9130	0.000	1	108.9130	0.000	1	108.9130	0.000	1	109.9819	0.506	7	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(OC[5a])(H)2	C[5](C[5]C[5]C)(N[5]N[5])(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[5a])(H)2	C[5](C[5]C[5]C)(N[5]N[5])(CHHO){1|C<3>,1|O<1>}	H(CC[5]HO)	109.6100	0.007	2	109.6100	0.000	2	109.4219	0.055	8	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]H)(N[5]N[5])(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]H)(N[5]N[5])(CHHO){1|Re<6>,1|C<4>}	H(CC[5]HO)	109.3640	0.308	4	109.3640	0.095	4	109.4219	0.055	8	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]Se[5]H)(N[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]Se[5]H)(N[5]C[5])(CHHO){1|C<3>}	H(CC[5]HO)	109.3495	0.091	2	109.3495	0.008	2	109.4219	0.055	8	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(OC[6a])(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]C[5]S[5])(OC[6a])(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|C<3>}	H(CC[5]HO)	109.5472	0.600	12	109.5007	0.272	28	109.6412	0.266	43	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(OC[6a])(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]C[5]S[5])(OC[6a])(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|S<1>}	H(CC[5]HO)	109.4659	0.471	16	109.5007	0.272	28	109.6412	0.266	43	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(OH)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]C[5]S[5])(OH)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|C<3>}	H(CC[5]HO)	109.9033	0.402	15	109.9033	0.162	15	109.6412	0.266	43	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(C[5]Se[5]C[5])(OH)(H)2	C[5](C[5]C[5]H)(Se[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]Se[5]C[5])(OH)(H)2	C[5](C[5]C[5]H)(Se[5]C[5])(CHHO){1|N<3>,2|H<1>}	H(CC[5]HO)	110.9715	2.092	2	110.9715	4.378	2	110.9715	4.378	2	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(OC)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OC)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO){1|Cu<4>,3|C<3>}	H(CC[5]HO)	108.9660	0.018	2	108.9660	0.000	2	109.8648	1.008	21	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO){1|C<4>,1|S<1>}	H(CC[5]HO)	110.4580	0.000	1	109.7024	1.439	11	109.8648	1.008	21	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO){1|H<1>,1|S<1>}	H(CC[5]HO)	109.6268	1.237	10	109.7024	1.439	11	109.8648	1.008	21	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO){1|H<1>,1|S<1>,2|C<3>}	H(CC[5]HO)	110.2920	0.127	3	110.2920	0.016	3	109.8648	1.008	21	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHO){1|Ni<6>,1|C<4>}	H(CC[5]HO)	110.1000	0.962	3	110.1000	0.926	3	109.8648	1.008	21	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(ON)(H)2	C[5](N[5]C[5]H)(N[5]N[5])(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(ON)(H)2	C[5](N[5]C[5]H)(N[5]N[5])(CHHO){1|H<1>,1|N<2>}	H(CC[5]HO)	110.6635	0.013	2	110.6635	0.000	2	109.8648	1.008	21	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(OP)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]N[5]O[5])(OP)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	H(CC[5]HO)	109.1430	0.011	2	109.1430	0.000	2	109.7013	0.170	8	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(OP)(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]N[5]O[5])(OP)(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	H(CC[5]HO)	109.9780	0.293	4	109.9780	0.086	4	109.7013	0.170	8	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(OP[6])(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]N[5]O[5])(OP[6])(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	H(CC[5]HO)	109.7060	0.013	2	109.7060	0.000	2	109.7013	0.170	8	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(SC)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHS)	H(CC[5]HS)	C(C[5]C[5]S[5])(SC)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHS){1|C<3>}	H(CC[5]HS)	108.9000	0.143	11	108.9557	0.079	18	108.9557	0.079	18	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(SC)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHS)	H(CC[5]HS)	C(C[5]C[5]S[5])(SC)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHS){1|S<1>}	H(CC[5]HS)	109.0431	0.419	7	108.9557	0.079	18	108.9557	0.079	18	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:2:4:	4:	C[5]-3:S-2:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(SC[5a])(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CHHS)	H(CC[5]HS)	C(C[5]N[5]2)(SC[5a])(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CHHS){1|H<1>,1|S<1>}	H(CC[5]HS)	109.0550	0.038	2	109.0550	0.001	2	109.0550	0.001	2	109.5683	0.517	102	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC)(H)2	C[5](C[5]C[5]O)2(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC)(H)2	C[5](C[5]C[5]O)2(CCHH){4|H<1>}	H(CC[5]CH)	109.0680	0.000	1	109.0680	0.000	1	109.0680	0.000	1	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]H)2(CHHO)	H(CC[5]HO)	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]H)2(CHHO){2|C<3>}	H(CC[5]HO)	110.4970	3.816	2	110.4970	14.558	2	110.4660	4.993	4	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[5]HO)	110.4350	0.645	2	110.4350	0.416	2	110.4660	4.993	4	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CHHO){1|C<3>,3|H<1>}	H(CC[5]HO)	110.5965	0.019	2	110.5965	0.000	2	109.6312	0.751	34	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CHHO){1|C<4>}	H(CC[5]HO)	108.9149	0.575	8	108.9149	0.331	8	109.6312	0.751	34	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CHHO){1|C<3>}	H(CC[5]HO)	108.7450	0.317	4	108.7450	0.101	4	109.6312	0.751	34	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHO){1|C<4>}	H(CC[5]HO)	110.5437	0.123	10	110.5437	0.015	10	109.6312	0.751	34	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]H)(N[5]N[5]H)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]H)(N[5]N[5]H)(CHHO){1|C<4>}	H(CC[5]HO)	110.7245	0.009	2	110.7245	0.000	2	109.6312	0.751	34	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO){1|C<3>}	H(CC[5]HO)	108.8815	0.045	2	108.8815	0.002	2	109.6312	0.751	34	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CHHO){2|H<1>}	H(CC[5]HO)	109.1605	0.019	2	109.1605	0.000	2	109.6312	0.751	34	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]Ni)(N[5]N[5]C)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]Ni)(N[5]N[5]C)(CHHO){1|C<3>}	H(CC[5]HO)	109.3730	0.014	2	109.3730	0.000	2	109.6312	0.751	34	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO){1|C<3>}	H(CC[5]HO)	109.1265	0.054	2	109.1265	0.003	2	109.6312	0.751	34	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6]C[5])(OC)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(CHHO)	H(CC[5]HO)	C(C[5]N[5,6]C[5])(OC)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(CHHO){2|C<3>,2|O<1>,3|H<1>}	H(CC[5]HO)	112.6655	3.311	2	112.6655	10.965	2	112.6655	10.965	2	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]Rh)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]Rh)(CHHO){3|C<3>}	H(CC[5]HO)	109.9934	0.109	7	109.9934	0.012	7	109.7816	0.074	14	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OH)(H)2	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OH)(H)2	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHO){1|C<3>,1|H<1>}	H(CC[5]HO)	109.5697	0.209	7	109.5697	0.044	7	109.7816	0.074	14	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OC)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OC)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO){2|H<1>}	H(CC[5]HO)	109.5793	0.828	4	109.5793	0.686	4	109.6611	0.802	31	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OC[6a])(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO){2|H<1>}	H(CC[5]HO)	109.8412	0.242	11	109.8412	0.059	11	109.6611	0.802	31	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5,6a]C)2(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5,6a]C)2(CHHO){2|C<3>}	H(CC[5]HO)	109.2910	0.025	2	109.2910	0.001	2	109.6611	0.802	31	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5,6a]H)2(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5,6a]H)2(CHHO){2|C<3>}	H(CC[5]HO)	109.6000	0.288	4	109.6000	0.083	4	109.6611	0.802	31	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5]C)2(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5]C)2(CHHO){2|H<1>}	H(CC[5]HO)	109.2987	0.018	4	109.2987	0.000	4	109.6611	0.802	31	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO){2|H<1>}	H(CC[5]HO)	109.9462	2.555	4	109.9462	6.528	4	109.6611	0.802	31	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]N[5]Ni)(N[5]C[5]N)(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OH)(H)2	C[5](N[5]N[5]Ni)(N[5]C[5]N)(CHHO){1|C<4>}	H(CC[5]HO)	109.4815	0.030	2	109.4815	0.001	2	109.6611	0.802	31	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHS){2|H<1>}	H(CC[5]HS)	109.2892	0.411	4	109.2892	0.169	4	109.2892	0.169	4	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:S-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SC[6])(H)2	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SC[6])(H)2	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS){1|C<4>}	H(CC[5]HS)	108.9910	0.038	2	108.9910	0.001	2	108.9845	0.021	8	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:S-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SC[6a])(H)2	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SC[6a])(H)2	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS){1|C<4>}	H(CC[5]HS)	108.9823	0.172	6	108.9823	0.030	6	108.9845	0.021	8	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:S-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(SC)(H)2	C[5](N[5]C[5,6a]H)2(CHHS)	H(CC[5]HS)	C(C[5]N[5]2)(SC)(H)2	C[5](N[5]C[5,6a]H)2(CHHS){2|C<3>}	H(CC[5]HS)	108.7480	0.052	2	108.7480	0.003	2	108.9638	0.065	13	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:S-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(SC)(H)2	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]H)(CHHS)	H(CC[5]HS)	C(C[5]N[5]2)(SC)(H)2	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]H)(CHHS){2|C<3>}	H(CC[5]HS)	108.9290	0.226	7	108.9290	0.051	7	108.9638	0.065	13	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:S-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(SC)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CHHS)	H(CC[5]HS)	C(C[5]N[5]2)(SC)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CHHS){2|C<3>}	H(CC[5]HS)	109.1325	0.294	4	109.1325	0.087	4	108.9638	0.065	13	109.6011	0.987	111	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:4:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6]C[5])(OC)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)	H(CC[5]HO)	C(C[5]C[5,6]C[5])(OC)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HO)	109.3715	0.019	2	109.3715	0.000	2	109.3715	0.000	2	109.4723	0.027	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:4:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO){4|C<3>}	H(CC[5]HO)	109.6840	0.024	2	109.6840	0.001	2	109.5228	0.035	4	109.4723	0.027	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	3:4:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO){3|C<3>,3|H<1>}	H(CC[5]HO)	109.3615	0.025	2	109.3615	0.001	2	109.5228	0.035	4	109.4723	0.027	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:2:4:	4:	C[5]-3:C-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(CN)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5])(CN)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	109.3705	0.011	2	109.3705	0.000	2	109.3705	0.000	2	109.7122	0.156	4	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:2:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]C[5]O[5])(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.0540	0.004	2	110.0540	0.000	2	110.0540	0.000	2	109.7122	0.156	4	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:C-2:H-1:H-1:	C[5,3x6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,3x6]C[5])(CC)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,3x6]C[5])(CC)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(CC[5]CH)	108.7175	0.016	2	108.7175	0.000	2	108.7175	0.000	2	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[3,5]C[5])(OC)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(CHHO)	H(CC[5]HO)	C(C[5]C[3,5]C[5])(OC)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(CHHO){1|C<3>,1|O<2>,3|H<1>}	H(CC[5]HO)	110.7855	0.086	2	110.7855	0.007	2	110.7855	0.007	2	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(OC)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(CHHO)	H(CC[5]HO)	C(C[5]C[5,5]C[5])(OC)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(CHHO){1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HO)	109.0337	0.210	4	109.0337	0.044	4	109.0337	0.044	4	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(OC)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO)	H(CC[5]HO)	C(C[5]C[5,6]C[5])(OC)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO){1|C<3>,3|H<1>,3|O<2>}	H(CC[5]HO)	109.5090	0.040	2	109.5090	0.002	2	109.2351	0.033	8	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO)	H(CC[5]HO)	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO){1|C<3>,2|O<2>,4|H<1>}	H(CC[5]HO)	109.1012	0.050	4	109.1012	0.002	4	109.2351	0.033	8	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO)	H(CC[5]HO)	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO){1|Br<1>,1|H<1>,2|C<3>}	H(CC[5]HO)	109.2290	0.024	2	109.2290	0.001	2	109.2351	0.033	8	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]H)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]H)(CHHO){3|C<4>}	H(CC[5]HO)	110.4255	0.067	2	110.4255	0.005	2	109.6527	0.477	11	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO){2|H<1>,2|O<2>}	H(CC[5]HO)	110.1385	0.021	2	110.1385	0.000	2	109.6527	0.477	11	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HO)	109.1217	0.045	4	109.1217	0.002	4	109.6527	0.477	11	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO){1|O<1>,2|C<4>}	H(CC[5]HO)	109.9150	0.000	1	109.9150	0.000	1	109.6527	0.477	11	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO){1|H<1>,1|O<1>}	H(CC[5]HO)	109.3250	1.297	2	109.3250	1.682	2	109.6527	0.477	11	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CHHO){1|H<1>,3|C<3>}	H(CC[5]HO)	109.9970	0.004	2	109.9970	0.000	2	109.9970	0.000	2	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O-2:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]S[5])(OH)(H)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CHHO)	H(CC[5]HO)	C(C[5]C[5]S[5])(OH)(H)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CHHO){2|C<3>}	H(CC[5]HO)	109.0650	0.016	4	109.0650	0.000	4	109.0650	0.000	4	109.4381	0.390	33	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:2:1:	3:3:4:	4:	C[5]-3:O-2:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OH)2(H)	C[5](N[5]C[5,6a]H)2(CHOO)	H(CC[5]OO)	C(C[5]N[5]2)(OH)2(H)	C[5](N[5]C[5,6a]H)2(CHOO){2|C<3>}	H(CC[5]OO)	109.7830	0.000	1	109.7830	0.000	1	109.7830	0.000	1	109.7830	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:2:4:1:	2:2:4:	4:	C[5]-3:O-2:C-4:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	C[5](N[5]N[5])(O[5]C[5])(CCHO)	H(CC[5]CO)	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	C[5](N[5]N[5])(O[5]C[5])(CCHO){1|H<1>,1|S<1>}	H(CC[5]CO)	109.5730	0.000	1	109.5730	0.000	1	109.5730	0.000	1	109.5730	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	2:2:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]N[5])2(CC[5]HH)	H(CC[5]2H)	C(C[5]N[5]2)2(H)2	C[5](N[5]N[5])2(CC[5]HH)	H(CC[5]2H)	109.4420	0.122	5	109.4420	0.015	5	109.4420	0.015	5	109.1992	0.340	30	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	2:2:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[4,5])(S[5]C[4,5])(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]S[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[4,5])(S[5]C[4,5])(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	H(CC[6a]C[5]H)	109.3975	0.040	2	109.3975	0.002	2	109.3975	0.002	2	109.1992	0.340	30	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	2:2:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(CC[6a]C[5]H)	109.2370	0.065	2	109.0403	0.118	3	109.0403	0.118	3	109.1992	0.340	30	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	2:2:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	O[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>}	H(CC[6a]C[5]H)	108.6470	0.000	1	109.0403	0.118	3	109.0403	0.118	3	109.1992	0.340	30	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	2:2:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(NCH)(H)2	C[5](C[5]C[5])(O[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]C[5]O[5])(NCH)(H)2	C[5](C[5]C[5])(O[5]C[5])(CHHN){2|H<1>}	H(CC[5]HN)	109.5095	2.012	2	109.5095	4.047	2	109.2360	1.479	6	109.1992	0.340	30	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	2:2:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(NC[6]H)(H)2	C[5](C[5]C[5])(O[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]C[5]O[5])(NC[6]H)(H)2	C[5](C[5]C[5])(O[5]C[5])(CHHN){2|H<1>}	H(CC[5]HN)	108.9915	1.752	2	108.9915	3.068	2	109.2360	1.479	6	109.1992	0.340	30	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	2:2:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(NC[6a]H)(H)2	C[5](C[5]C[5])(O[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]C[5]O[5])(NC[6a]H)(H)2	C[5](C[5]C[5])(O[5]C[5])(CHHN){2|H<1>}	H(CC[5]HN)	109.2070	0.099	2	109.2070	0.010	2	109.2360	1.479	6	109.1992	0.340	30	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	2:2:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(NCN)(H)2	C[5](N[5]N[5])2(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCN)(H)2	C[5](N[5]N[5])2(CHHN)	H(CC[5]HN)	109.0807	0.150	6	109.0807	0.022	6	109.0807	0.022	6	109.1992	0.340	30	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	2:2:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(NCC)(H)2	C[5](N[5]C[5])(S[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]S[5])(NCC)(H)2	C[5](N[5]C[5])(S[5]C[5])(CHHN){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HN)	109.4975	0.012	2	109.4975	0.000	2	109.4975	0.000	2	109.1992	0.340	30	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	2:2:4:	4:	C[5]-3:P-3:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(PC[6a]2)(H)2	C[5](N[5]C[5])(S[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]S[5])(PC[6a]2)(H)2	C[5](N[5]C[5])(S[5]C[5])(CHHP){4|H<1>}	H(CC[5]HP)	109.0695	0.015	2	109.0695	0.000	2	109.0695	0.000	2	109.1992	0.340	30	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	2:2:4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5a]N[5a]2)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a])2(CC[5a]HH)	H(CC[5a]C[5]H)	C(C[5a]N[5a]2)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a])2(CC[5a]HH){2|C<3>}	H(CC[5a]C[5]H)	108.4415	0.090	2	108.4415	0.008	2	108.4415	0.008	2	109.1992	0.340	30	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a])2(CN[5a]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a])2(CN[5a]HH){2|C<3>}	H(CN[5a]C[5]H)	109.4670	0.006	2	109.4670	0.000	2	109.4670	0.000	2	109.1992	0.340	30	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]C[5]C)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]C[5]C)(N[5]N[5])(CCHH){1|C<4>,1|O<1>}	H(CC[5]CH)	109.4440	0.393	2	109.4440	0.155	2	109.4440	0.155	2	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(COO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]S[5])(COO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|H<1>,1|S<1>}	H(CC[5]CH)	108.7955	0.012	2	108.7955	0.000	2	108.7955	0.000	2	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5]H)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5]H)(N[5]N[5])(CCHH){1|H<1>,1|N<3>}	H(CC[5]CH)	108.6930	0.006	2	108.6930	0.000	2	108.4095	0.107	4	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5]Ni)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5]Ni)(N[5]N[5])(CCHH){1|H<1>,1|N<3>}	H(CC[5]CH)	108.1260	0.007	2	108.1260	0.000	2	108.4095	0.107	4	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CC[6a]O)(H)2	C[5](N[5]C[5]H)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CC[6a]O)(H)2	C[5](N[5]C[5]H)(O[5]C[5])(CCHH){2|C<4>,2|H<1>}	H(CC[5]CH)	109.3600	0.004	2	109.3600	0.000	2	109.3600	0.000	2	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]Co)(N[5]N[5])(CC[5]HH)	H(CC[5]2H)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]Co)(N[5]N[5])(CC[5]HH){1|H<1>,1|N<2>}	H(CC[5]2H)	109.3680	0.000	1	109.3680	0.000	1	108.3522	4.025	5	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]H)(N[5]N[5])(CC[5]HH)	H(CC[5]2H)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]H)(N[5]N[5])(CC[5]HH){1|H<1>,1|N<3>}	H(CC[5]2H)	108.0983	2.222	4	108.0983	4.937	4	108.3522	4.025	5	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])2(H)2	C[5](N[5]C[5]W)(S[5]C[5])(CC[5]HH)	H(CC[5]2H)	C(C[5]N[5]S[5])2(H)2	C[5](N[5]C[5]W)(S[5]C[5])(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]2H)	109.0867	0.089	3	109.0867	0.008	3	109.0867	0.008	3	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]N)(O[5]Si[5])(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]N)(O[5]Si[5])(CC[6a]HH){1|Cl<1>,2|C<4>,2|H<1>}	H(CC[6a]C[5]H)	106.8745	2.261	2	106.8745	5.110	2	106.8745	5.110	2	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(NCC)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCC)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHN){1|C<4>,1|H<1>}	H(CC[5]HN)	109.0356	0.137	9	109.0356	0.019	9	109.2980	0.183	13	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(NCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5])(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5])(CHHN){1|C<4>}	H(CC[5]HN)	109.8885	0.110	4	109.8885	0.012	4	109.2980	0.183	13	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(NCH)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCH)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHN){1|H<1>,1|S<1>}	H(CC[5]HN)	109.2722	0.229	4	109.2722	0.053	4	109.3418	0.043	6	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(NC[6a]H)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6a]H)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CHHN){1|H<1>,1|S<1>}	H(CC[5]HN)	109.4810	0.006	2	109.4810	0.000	2	109.3418	0.043	6	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CN[5]HH){1|H<1>,1|S<1>}	H(CC[5]N[5]H)	108.9595	0.005	2	108.9595	0.000	2	108.9595	0.000	2	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:O-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(ONiH)(H)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]N[5]O[5])(ONiH)(H)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	H(CC[5]HO)	110.4560	0.042	3	110.4560	0.002	3	110.4560	0.002	3	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:O-3:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(OCuC)(H)2	C[5](N[5]C[5,6a]Cu)(S[5]C[5,6a])(CHHO)	H(CC[5]HO)	C(C[5]N[5]S[5])(OCuC)(H)2	C[5](N[5]C[5,6a]Cu)(S[5]C[5,6a])(CHHO){2|C<3>}	H(CC[5]HO)	110.9430	0.000	1	110.9430	0.000	1	110.9430	0.000	1	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:P-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(PCC)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PCC)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHP){1|C<4>,1|H<1>}	H(CC[5]HP)	108.6827	0.134	4	108.6827	0.018	4	108.4023	0.200	6	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:P-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(PCC)(H)2	C[5](C[5]C[5]P)(N[5]P[5])(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PCC)(H)2	C[5](C[5]C[5]P)(N[5]P[5])(CHHP){1|N<2>,2|C<4>}	H(CC[5]HP)	107.8415	0.015	2	107.8415	0.000	2	108.4023	0.200	6	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:P-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]C)(H)2	C[5](N[5]C[5]Fe)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]C)(H)2	C[5](N[5]C[5]Fe)(O[5]C[5])(CHHP){2|C<4>,2|H<1>}	H(CC[5]HP)	109.2230	0.729	3	109.2230	0.531	3	109.2230	0.531	3	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:2:4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5](N[5]C[5,5]Rh)(O[5]C[5,5])(CC[5a]HH)	H(CC[5a]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5](N[5]C[5,5]Rh)(O[5]C[5,5])(CC[5a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5a]C[5]H)	108.9850	0.259	4	108.9850	0.067	4	108.9850	0.067	4	109.0135	0.946	58	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5a]C[5])(COO)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5a]C[5])(COO)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.2520	0.023	2	108.2520	0.001	2	108.2520	0.001	2	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(COO)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6]C[5])(COO)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	H(CC[5]CH)	108.9065	0.019	2	108.9065	0.000	2	108.9065	0.000	2	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH){1|C<2>,1|H<1>,2|C<3>}	H(CC[5]CH)	109.5922	0.559	4	109.5922	0.312	4	108.8867	0.837	10	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.8005	1.481	2	108.7103	0.742	4	108.8867	0.837	10	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){2|C<3>,3|H<1>}	H(CC[5]CH)	108.6200	0.014	2	108.7103	0.742	4	108.8867	0.837	10	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	H(CC[5]CH)	107.8285	0.101	2	107.8285	0.010	2	108.8867	0.837	10	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){4|H<1>}	H(CC[5]CH)	109.3225	0.045	2	109.3225	0.002	2	108.6564	0.191	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]O)2(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]O)2(CCHH){4|H<1>}	H(CC[5]CH)	108.4586	0.615	5	108.4586	0.378	5	108.6564	0.191	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	H(CC[5]CH)	109.0530	0.052	2	109.0530	0.003	2	108.6564	0.191	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CNO)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CNO)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	108.8045	0.013	2	108.8045	0.000	2	108.6564	0.191	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	107.9900	0.007	2	107.9900	0.000	2	108.6564	0.191	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	108.5085	0.022	2	108.5085	0.000	2	108.6564	0.191	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>}	H(CC[5]CH)	108.7373	0.234	4	108.6782	0.062	9	108.6564	0.191	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	108.9240	0.008	2	108.6782	0.062	9	108.6564	0.191	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.4357	0.097	3	108.6782	0.062	9	108.6564	0.191	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CNO)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CNO)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH){1|N<2>}	H(CC[5]CH)	108.3820	0.048	2	108.3820	0.002	2	108.3115	0.102	6	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	107.9430	0.216	2	107.9430	0.047	2	108.3115	0.102	6	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]S[5]H)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]S[5]H)(N[5]C[5]H)(CCHH){1|N<2>}	H(CC[5]CH)	108.6095	0.046	2	108.6095	0.002	2	108.3115	0.102	6	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6]C[5])(CNO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5,6]C[5])(CNO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5])(CCHH){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	H(CC[5]CH)	108.8815	0.062	2	108.8815	0.004	2	108.5180	0.178	4	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6]C[5])(COO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5,6]C[5])(COO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	H(CC[5]CH)	108.1545	0.029	2	108.1545	0.001	2	108.5180	0.178	4	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCO)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCO)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.1035	0.016	2	108.1035	0.000	2	108.2244	0.022	5	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(COO)(H)2	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(COO)(H)2	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CCHH){1|N<3>}	H(CC[5]CH)	108.4440	0.000	1	108.4440	0.000	1	108.2244	0.022	5	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(COO)(H)2	C[5](N[5]C[5]Zn)(C[5]S[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(COO)(H)2	C[5](N[5]C[5]Zn)(C[5]S[5]H)(CCHH){1|N<3>}	H(CC[5]CH)	108.2355	0.091	2	108.2355	0.008	2	108.2244	0.022	5	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.1515	0.011	2	108.1515	0.000	2	108.4994	0.214	21	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5]C)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	H(CC[5]CH)	109.0795	0.178	6	109.0795	0.032	6	108.4994	0.214	21	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	H(CC[5]CH)	108.5960	0.245	4	108.5960	0.060	4	108.4994	0.214	21	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(COS)(H)2	C[5](N[5]C[5]C)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(COS)(H)2	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	H(CC[5]CH)	108.4463	0.072	3	108.4463	0.005	3	108.4994	0.214	21	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(COS)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(COS)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	H(CC[5]CH)	107.8080	0.018	2	107.8080	0.000	2	108.4994	0.214	21	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CSS)(H)2	C[5](N[5]C[5]C)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CSS)(H)2	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	H(CC[5]CH)	108.0360	0.025	2	108.0360	0.001	2	108.4994	0.214	21	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CSS)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CSS)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	H(CC[5]CH)	108.1485	0.015	2	108.1485	0.000	2	108.4994	0.214	21	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|C<4>}	H(CC[5]2H)	109.2149	0.286	7	109.2149	0.082	7	108.7060	0.765	63	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)2(H)2	C[5](C[5]N[5]C)2(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]2)2(H)2	C[5](C[5]N[5]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	H(CC[5]2H)	108.5114	0.972	11	108.6423	0.816	56	108.7060	0.765	63	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)2(H)2	C[5](C[5]N[5]C)2(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]2)2(H)2	C[5](C[5]N[5]C)2(CC[5]HH){2|H<1>}	H(CC[5]2H)	108.6744	0.894	45	108.6423	0.816	56	108.7060	0.765	63	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])2(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5])2(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH){1|C<4>}	H(CC[5]2H)	109.0743	0.041	3	109.0743	0.002	3	109.7115	0.488	6	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])2(H)2	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5])2(H)2	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CC[5]HH){1|C<4>}	H(CC[5]2H)	110.3487	0.037	3	110.3487	0.001	3	109.7115	0.488	6	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]2H)	107.1750	0.045	2	107.1750	0.002	2	108.0282	0.561	8	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]2H)	107.2350	0.000	1	107.2350	0.000	1	108.0282	0.561	8	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]2H)	107.8710	0.000	1	107.8710	0.000	1	108.0282	0.561	8	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]2H)	108.6925	0.128	4	108.6925	0.016	4	108.0282	0.561	8	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CC[5]HH){2|C<3>}	H(CC[5]2H)	107.1560	0.004	2	107.1560	0.000	2	108.4063	0.336	61	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(CC[5]HH){2|C<3>}	H(CC[5]2H)	107.2560	0.018	2	107.2560	0.000	2	108.4063	0.336	61	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CC[5]HH){2|C<3>}	H(CC[5]2H)	107.8425	0.019	2	107.8425	0.000	2	108.4063	0.336	61	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CC[5]HH){2|C<3>}	H(CC[5]2H)	108.7013	0.168	4	108.7013	0.028	4	108.4063	0.336	61	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5,6a]C)2(CC[5]HH)	H(CC[5]2H)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5,6a]C)2(CC[5]HH){2|C<3>}	H(CC[5]2H)	108.0520	0.299	4	108.0520	0.089	4	108.4063	0.336	61	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH)	H(CC[5]2H)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]2H)	108.4409	0.078	16	108.4409	0.006	16	108.4063	0.336	61	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]HH)	H(CC[5]2H)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]HH){2|H<1>}	H(CC[5]2H)	108.0426	0.336	12	108.0426	0.113	12	108.4063	0.336	61	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]H)(CC[5]HH){1|C<3>}	H(CC[5]2H)	108.6923	0.064	7	108.6923	0.004	7	108.4063	0.336	61	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]H)2(CC[5]HH)	H(CC[5]2H)	C(C[5]N[5]2)2(H)2	C[5](N[5]C[5]H)2(CC[5]HH){2|C<3>,2|H<1>}	H(CC[5]2H)	109.8355	0.022	4	109.8355	0.000	4	108.4063	0.336	61	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(H)2	C[5](N[5]N[5]Cu)(N[5]C[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]N[5]2)2(H)2	C[5](N[5]N[5]Cu)(N[5]C[5]H)(CC[5]HH){1|Cu<5>,1|C<3>}	H(CC[5]2H)	108.6887	0.175	8	108.6887	0.031	8	108.4063	0.336	61	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH){2|C<3>,3|H<1>}	H(CC[5a]C[5]H)	108.5070	0.016	2	108.5070	0.000	2	108.5070	0.000	2	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6]-3:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]HH)	H(CC[5]C[6]H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]HH){1|H<1>,3|C<3>}	H(CC[5]C[6]H)	107.9580	0.028	2	107.9580	0.001	2	107.7720	0.047	4	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6]-3:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]HH)	H(CC[5]C[6]H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]HH){1|H<1>,3|C<3>}	H(CC[5]C[6]H)	107.5860	0.021	2	107.5860	0.000	2	107.7720	0.047	4	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(C[6]C[6]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CC[6]HH)	H(CC[5]C[6]H)	C(C[5]N[5]2)(C[6]C[6]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CC[6]HH){2|H<1>}	H(CC[5]C[6]H)	107.8753	3.202	6	107.8753	10.252	6	107.8753	10.252	6	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	H(CC[6a]C[5]H)	109.0450	0.033	2	109.0450	0.001	2	109.0450	0.001	2	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.6045	0.018	2	108.6045	0.000	2	108.6045	0.000	2	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	H(CC[6a]C[5]H)	108.8674	0.139	5	108.8674	0.019	5	108.8674	0.019	5	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.8490	0.121	5	108.8490	0.015	5	108.7691	0.034	12	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){2|C<3>,3|H<1>}	H(CC[6a]C[5]H)	108.9985	0.037	2	108.9985	0.001	2	108.7691	0.034	12	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH){3|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.5517	0.089	3	108.5517	0.008	3	108.7691	0.034	12	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|P<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6660	0.023	2	108.6660	0.001	2	108.7691	0.034	12	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	109.0840	0.000	1	109.0840	0.000	1	109.0840	0.000	1	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.2940	0.047	2	108.2940	0.002	2	108.5818	0.081	23	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	108.6300	0.000	1	108.6300	0.000	1	108.5818	0.081	23	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CC[6a]HH){1|B<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.6507	0.238	12	108.6507	0.057	12	108.5818	0.081	23	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(CC[6a]HH){5|C<3>}	H(CC[6a]C[5]H)	108.2440	0.018	2	108.2440	0.000	2	108.5818	0.081	23	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]HH){1|C<4>}	H(CC[6a]C[5]H)	108.2385	0.046	2	108.2385	0.002	2	108.5818	0.081	23	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CC[6a]HH){1|C<4>}	H(CC[6a]C[5]H)	108.8475	0.241	4	108.8475	0.058	4	108.5818	0.081	23	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]Pt)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]Pt)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.8545	0.008	2	108.8545	0.000	2	108.8545	0.000	2	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|S<1>,3|C<4>}	H(CC[6a]C[5]H)	108.7570	0.006	2	108.7570	0.000	2	108.7570	0.000	2	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(NCS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5])(NCS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HN)	109.6400	0.000	1	109.6400	0.000	1	109.3613	0.058	3	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(NCS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5])(NCS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN){2|C<3>,2|H<1>}	H(CC[5]HN)	109.2220	0.004	2	109.2220	0.000	2	109.3613	0.058	3	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(NCS)(H)2	C[5](C[5]C[5]C)2(CHHN)	H(CC[5]HN)	C(C[5]C[5]2)(NCS)(H)2	C[5](C[5]C[5]C)2(CHHN){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HN)	108.9440	0.024	2	108.9440	0.001	2	108.9440	0.001	2	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCH)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCH)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN){1|C<3>}	H(CC[5]HN)	109.3805	0.012	2	109.3805	0.000	2	109.1097	0.098	4	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NHS)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NHS)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN){1|C<4>}	H(CC[5]HN)	108.8390	0.028	2	108.8390	0.001	2	109.1097	0.098	4	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NIrC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NIrC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CHHN){3|C<3>}	H(CC[5]HN)	109.1805	0.005	2	109.1805	0.000	2	110.0226	0.613	5	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NIrC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]Ir)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NIrC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]Ir)(CHHN){3|C<3>}	H(CC[5]HN)	110.7060	0.027	2	110.7060	0.001	2	110.0226	0.613	5	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NNiC)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NNiC)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CHHN){1|Ni<4>,1|C<4>}	H(CC[5]HN)	110.3400	0.000	1	110.3400	0.000	1	110.0226	0.613	5	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5,6a]As)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5,6a]As)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	109.8350	0.110	3	109.8350	0.012	3	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]P)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]P)(CHHN){2|C<3>}	H(CC[5]HN)	109.9536	0.121	5	109.9536	0.015	5	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	108.7188	0.593	4	108.7188	0.352	4	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	108.9748	0.539	10	108.9748	0.290	10	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	110.0318	0.487	6	110.0318	0.237	6	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5,6a]H)2(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5,6a]H)2(CHHN){2|C<3>}	H(CC[5]HN)	109.4193	0.243	47	109.4193	0.059	47	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5]O)2(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5]O)2(CHHN){4|C<4>}	H(CC[5]HN)	108.0727	1.336	8	108.0727	1.785	8	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCC)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	109.2772	0.084	4	109.2772	0.007	4	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.1194	0.164	7	109.1194	0.027	7	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCH)(H)2	C[5](N[5]C[5,6a]H)2(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCH)(H)2	C[5](N[5]C[5,6a]H)2(CHHN){2|C<3>}	H(CC[5]HN)	109.3424	0.222	8	109.3424	0.049	8	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHN){2|H<1>}	H(CC[5]HN)	109.3170	0.047	2	109.3170	0.002	2	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCS)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCS)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	108.2985	0.654	4	108.2985	0.428	4	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NC[6]C)(H)2	C[5](N[5]C[5,6a]H)2(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6]C)(H)2	C[5](N[5]C[5,6a]H)2(CHHN){2|C<3>}	H(CC[5]HN)	109.2570	0.000	1	109.2570	0.000	1	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NC[6a]C)(H)2	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6a]C)(H)2	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	109.1596	0.528	14	109.1596	0.279	14	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NC[6a]C)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6a]C)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.1940	0.013	2	109.1940	0.000	2	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NC[6a]C)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6a]C)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	108.9685	0.429	4	108.9685	0.184	4	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NC[6a]C)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6a]C)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]H)(CHHN){4|H<1>}	H(CC[5]HN)	108.2290	0.363	4	108.2290	0.132	4	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NC[6a]H)(H)2	C[5](N[5]C[5,6a]H)2(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6a]H)(H)2	C[5](N[5]C[5,6a]H)2(CHHN){2|C<3>}	H(CC[5]HN)	108.7875	0.045	2	108.7875	0.002	2	109.1936	0.421	135	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	S[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]S[5])(NRuC)(H)2	C[5](S[5]C[5]Ru)(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]S[5])(NRuC)(H)2	C[5](S[5]C[5]Ru)(C[5]C[5]H)(CHHN){2|H<1>}	H(CC[5]HN)	110.2340	0.006	2	110.2340	0.000	2	110.2340	0.000	2	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH){1|C<3>}	H(CC[5]N[5]H)	109.4625	0.131	4	109.4625	0.017	4	109.2546	0.078	8	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CN[5]HH){1|C<3>}	H(CC[5]N[5]H)	108.8610	0.091	2	108.8610	0.008	2	109.2546	0.078	8	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CN[5]HH){1|C<3>}	H(CC[5]N[5]H)	109.2325	0.047	2	109.2325	0.002	2	109.2546	0.078	8	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<4>}	H(CC[5]N[5]H)	109.6530	0.182	4	109.6530	0.033	4	109.3340	0.097	77	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<4>,1|C<4>}	H(CC[5]N[5]H)	109.2964	0.221	16	109.3685	0.045	24	109.3340	0.097	77	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<5>,1|C<4>}	H(CC[5]N[5]H)	109.5630	0.102	4	109.3685	0.045	24	109.3340	0.097	77	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<6>,1|C<4>}	H(CC[5]N[5]H)	109.4627	0.041	4	109.3685	0.045	24	109.3340	0.097	77	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|Pd<4>,1|C<4>}	H(CC[5]N[5]H)	109.1080	0.272	15	109.1080	0.074	15	109.3340	0.097	77	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|Rh<8>,1|C<4>}	H(CC[5]N[5]H)	109.7987	0.426	6	109.7987	0.181	6	109.3340	0.097	77	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<3>}	H(CC[5]N[5]H)	109.2380	0.051	2	109.4185	0.019	15	109.3340	0.097	77	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<4>}	H(CC[5]N[5]H)	109.4463	0.127	13	109.4185	0.019	15	109.3340	0.097	77	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|Ru<6>,1|C<4>}	H(CC[5]N[5]H)	109.2007	0.062	4	109.2007	0.004	4	109.3340	0.097	77	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<3>}	H(CC[5]N[5]H)	109.2255	0.060	2	109.1708	0.087	5	109.3340	0.097	77	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<4>}	H(CC[5]N[5]H)	109.1343	0.408	3	109.1708	0.087	5	109.3340	0.097	77	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<4>}	H(CC[5]N[5]H)	108.9780	0.356	4	108.9780	0.127	4	109.3340	0.097	77	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	H(CC[5]N[5]H)	110.1160	0.167	4	110.1160	0.028	4	109.9596	0.029	10	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	H(CC[5]N[5]H)	109.8553	0.044	6	109.8553	0.002	6	109.9596	0.029	10	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]O[5]O)(CN[6]HH)	H(CC[5]N[6]H)	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]O[5]O)(CN[6]HH){2|C<3>}	H(CC[5]N[6]H)	109.3170	0.035	2	109.3170	0.001	2	109.3170	0.001	2	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[6]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CN[6]HH)	H(CC[5]N[6]H)	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CN[6]HH){1|Ir<5>,1|H<1>}	H(CC[5]N[6]H)	108.7814	0.391	8	108.7814	0.153	8	108.7814	0.153	8	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:O-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OCu2)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OCu2)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHO){2|C<3>}	H(CC[5]HO)	110.1265	1.601	4	110.1265	2.563	4	110.4916	0.564	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:O-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OCu2)(H)2	C[5](N[5]C[6a]C[5])2(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OCu2)(H)2	C[5](N[5]C[6a]C[5])2(CHHO){2|H<1>,4|C<3>}	H(CC[5]HO)	108.9530	0.000	1	108.9530	0.000	1	110.4916	0.564	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:O-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OCuC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OCuC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHO){2|C<3>}	H(CC[5]HO)	110.7700	0.021	2	110.7700	0.000	2	110.4916	0.564	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:O-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OCuC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OCuC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHO){2|C<3>}	H(CC[5]HO)	110.8090	0.153	11	110.8090	0.023	11	110.4916	0.564	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:O-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OMnH)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OMnH)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CHHO){2|C<3>}	H(CC[5]HO)	110.0165	0.062	2	110.0165	0.004	2	110.4916	0.564	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:O-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(ONiH)(H)2	C[5](N[5]N[5]Ni)(N[5]C[5]N)(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(ONiH)(H)2	C[5](N[5]N[5]Ni)(N[5]C[5]N)(CHHO){1|C<4>}	H(CC[5]HO)	110.7960	0.035	2	110.4670	0.146	4	110.4916	0.564	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:O-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(ONiH)(H)2	C[5](N[5]N[5]Ni)(N[5]C[5]N)(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(ONiH)(H)2	C[5](N[5]N[5]Ni)(N[5]C[5]N)(CHHO){1|Ni<6>,1|C<4>}	H(CC[5]HO)	110.1380	0.049	2	110.4670	0.146	4	110.4916	0.564	24	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:P-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(PC[6a]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHP)	H(CC[5]HP)	C(C[5]N[5]2)(PC[6a]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHP){2|H<1>}	H(CC[5]HP)	107.2185	1.518	2	107.2185	2.305	2	107.2185	2.305	2	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SC[6a]Pd)(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SC[6a]Pd)(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHS){1|C<3>}	H(CC[5]HS)	109.5097	0.196	4	109.4976	0.030	5	109.3241	0.368	27	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SC[6a]Pd)(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SC[6a]Pd)(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHS){1|C<4>}	H(CC[5]HS)	109.4490	0.000	1	109.4976	0.030	5	109.3241	0.368	27	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SC[6a]Ru)(H)2	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SC[6a]Ru)(H)2	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS){1|C<3>}	H(CC[5]HS)	109.6815	0.021	2	109.6803	0.023	8	109.3241	0.368	27	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SC[6a]Ru)(H)2	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SC[6a]Ru)(H)2	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS){1|C<4>}	H(CC[5]HS)	109.6798	0.181	6	109.6803	0.023	8	109.3241	0.368	27	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SFe2)(H)2	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SFe2)(H)2	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHS){1|C<4>}	H(CC[5]HS)	109.6215	0.026	2	109.6215	0.001	2	109.3241	0.368	27	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SPdC)(H)2	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CHHS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SPdC)(H)2	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<4>,1|H<1>}	H(CC[5]HS)	109.3965	0.192	8	109.3965	0.037	8	109.3241	0.368	27	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SReC)(H)2	C[5](N[5]C[5]Re)(C[5]S[5]H)(CHHS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SReC)(H)2	C[5](N[5]C[5]Re)(C[5]S[5]H)(CHHS){1|C<3>}	H(CC[5]HS)	108.1015	0.745	4	108.1015	0.555	4	109.3241	0.368	27	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(SCdC)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHS)	H(CC[5]HS)	C(C[5]N[5]2)(SCdC)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHS){2|C<3>}	H(CC[5]HS)	109.3130	0.000	1	109.3130	0.000	1	109.0129	0.110	17	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(SCuC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHS)	H(CC[5]HS)	C(C[5]N[5]2)(SCuC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHS){2|C<3>}	H(CC[5]HS)	108.4195	0.404	2	108.4195	0.163	2	109.0129	0.110	17	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(SCuC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHS)	H(CC[5]HS)	C(C[5]N[5]2)(SCuC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHS){2|C<3>}	H(CC[5]HS)	108.8207	0.022	3	108.8207	0.001	3	109.0129	0.110	17	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(SFeC)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5]Fe)(CHHS)	H(CC[5]HS)	C(C[5]N[5]2)(SFeC)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5]Fe)(CHHS){1|Fe<6>,1|C<4>,2|C<3>}	H(CC[5]HS)	109.0528	0.286	4	109.0528	0.082	4	109.0129	0.110	17	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(SNiC)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CHHS)	H(CC[5]HS)	C(C[5]N[5]2)(SNiC)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CHHS){2|C<3>}	H(CC[5]HS)	109.1993	0.181	7	109.1993	0.033	7	109.0129	0.110	17	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:Se-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SeC[6a]Ir)(H)2	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CSeHH)	H(CC[5]SeH)	C(C[5]C[5]N[5])(SeC[6a]Ir)(H)2	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CSeHH){1|C<4>}	H(CC[5]SeH)	109.1980	0.024	2	109.1980	0.001	2	109.5795	0.060	17	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:Se-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SeC[6a]Pd)(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CSeHH)	H(CC[5]SeH)	C(C[5]C[5]N[5])(SeC[6a]Pd)(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CSeHH){1|C<3>}	H(CC[5]SeH)	109.6233	0.053	3	109.6902	0.010	5	109.5795	0.060	17	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:Se-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SeC[6a]Pd)(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CSeHH)	H(CC[5]SeH)	C(C[5]C[5]N[5])(SeC[6a]Pd)(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CSeHH){1|C<4>}	H(CC[5]SeH)	109.7905	0.042	2	109.6902	0.010	5	109.5795	0.060	17	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:Se-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SeC[6a]Rh)(H)2	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CSeHH)	H(CC[5]SeH)	C(C[5]C[5]N[5])(SeC[6a]Rh)(H)2	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CSeHH){1|C<4>}	H(CC[5]SeH)	109.2285	0.047	2	109.2285	0.002	2	109.5795	0.060	17	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:Se-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SeC[6a]Ru)(H)2	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH)	H(CC[5]SeH)	C(C[5]C[5]N[5])(SeC[6a]Ru)(H)2	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH){1|C<3>}	H(CC[5]SeH)	109.5110	0.030	2	109.6935	0.030	8	109.5795	0.060	17	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:Se-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SeC[6a]Ru)(H)2	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH)	H(CC[5]SeH)	C(C[5]C[5]N[5])(SeC[6a]Ru)(H)2	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH){1|C<4>}	H(CC[5]SeH)	109.7543	0.155	6	109.6935	0.030	8	109.5795	0.060	17	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6]N[5])(H)2	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[5a]HH)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6]N[5])(H)2	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[5a]HH){1|H<1>,3|C<3>}	H(CC[5a]C[5]H)	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(CC[5a]HH)	H(CC[5a]C[5]H)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(CC[5a]HH){1|Zn<4>,1|H<1>}	H(CC[5a]C[5]H)	110.2680	0.144	2	108.6582	0.863	16	108.6582	0.863	16	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(CC[5a]HH)	H(CC[5a]C[5]H)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(CC[5a]HH){2|H<1>}	H(CC[5a]C[5]H)	108.4282	0.734	14	108.6582	0.863	16	108.6582	0.863	16	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(CC[6a]HH){2|Pd<4>}	H(CC[6a]C[5]H)	109.2785	0.210	4	109.2785	0.044	4	108.4347	0.275	55	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)2(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	H(CC[6a]C[5]H)	108.7375	0.045	2	108.7375	0.002	2	108.4347	0.275	55	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	H(CC[6a]C[5]H)	108.2570	0.000	1	108.2570	0.000	1	108.4347	0.275	55	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH){1|O<1>,2|H<1>}	H(CC[6a]C[5]H)	107.0180	0.006	2	107.0180	0.000	2	108.4347	0.275	55	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	H(CC[6a]C[5]H)	108.5925	0.057	4	108.5017	0.022	6	108.4347	0.275	55	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|O<2>,2|C<4>}	H(CC[6a]C[5]H)	108.3200	0.034	2	108.5017	0.022	6	108.4347	0.275	55	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)2(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	H(CC[6a]C[5]H)	108.2457	0.522	16	108.2457	0.273	16	108.4347	0.275	55	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.2875	0.046	2	108.2875	0.002	2	108.4347	0.275	55	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	H(CC[6a]C[5]H)	108.8470	0.312	4	108.8470	0.097	4	108.4347	0.275	55	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(CC[6a]HH){1|Co<6>,1|B<4>}	H(CC[6a]C[5]H)	108.4073	0.260	12	108.4514	0.107	18	108.4347	0.275	55	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(CC[6a]HH){1|Fe<6>,1|B<4>}	H(CC[6a]C[5]H)	108.5395	0.448	6	108.4514	0.107	18	108.4347	0.275	55	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CC[6a]HH){2|C<3>}	H(CC[6a]C[5]H)	108.5637	0.096	3	108.5637	0.009	3	108.3364	0.102	5	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[6a]C[5]H)	107.9955	0.029	2	107.9955	0.001	2	108.3364	0.102	5	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CN[5]HH){1|C<4>}	H(CC[5]N[5]H)	108.4027	0.419	4	108.4027	0.175	4	108.9718	0.452	8	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5]HH){1|C<4>}	H(CC[5]N[5]H)	109.5408	0.129	4	109.5408	0.017	4	108.9718	0.452	8	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CN[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CN[5]HH){2|H<1>}	H(CC[5]N[5]H)	108.6577	0.023	3	108.6577	0.001	3	108.6577	0.001	3	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5a]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5a]HH){1|C<4>}	H(CN[5a]C[5]H)	108.2420	0.006	2	108.2420	0.000	2	108.2420	0.000	2	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CN[5a]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CN[5a]HH){2|C<3>}	H(CN[5a]C[5]H)	109.1328	0.051	4	109.1328	0.003	4	109.1865	0.009	6	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CN[5a]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CN[5a]HH){2|C<3>}	H(CN[5a]C[5]H)	109.2940	0.014	2	109.2940	0.000	2	109.1865	0.009	6	108.9489	0.658	712	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	H(CC[6a]C[5]H)	109.0810	0.228	4	109.0284	0.136	14	109.0284	0.136	14	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>}	H(CC[6a]C[5]H)	108.6330	0.034	2	109.0284	0.136	14	109.0284	0.136	14	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<3>}	H(CC[6a]C[5]H)	109.2200	0.033	2	109.0284	0.136	14	109.0284	0.136	14	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	H(CC[6a]C[5]H)	109.6920	0.041	2	109.0284	0.136	14	109.0284	0.136	14	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<3>}	H(CC[6a]C[5]H)	108.7460	0.044	4	109.0284	0.136	14	109.0284	0.136	14	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:O[5]-2:	C-4:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5])	H(CC[6a]C[5]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	108.9998	0.388	4	108.9998	0.151	4	108.9998	0.151	4	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:S[5]-2:	C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]O[5])(CC[6a]HH)(S[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]O[5])(CC[6a]HH)(S[5]C[5]){1|N<2>,2|C<3>}	H(CC[6a]C[5]H)	109.1705	0.012	2	109.1705	0.000	2	108.8454	0.145	14	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:S[5]-2:	C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5]){1|H<1>,1|N<3>}	H(CC[6a]C[5]H)	108.7912	0.386	12	108.7912	0.149	12	108.8454	0.145	14	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:C-4:N[5]-2:	C-4:	C(C[5a]C[5a]2)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(CC[5a]HH)(N[5]N[5])	H(CC[5a]C[5]H)	C(C[5a]C[5a]2)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(CC[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	H(CC[5a]C[5]H)	109.1190	0.011	2	109.1190	0.000	2	109.1190	0.000	2	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:C-4:O[5]-2:	C-4:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5](N[5]C[5]Ni)(CC[5a]HH)(O[5]C[5])	H(CC[5a]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5](N[5]C[5]Ni)(CC[5a]HH)(O[5]C[5]){1|C<4>,3|H<1>}	H(CC[5a]C[5]H)	109.7947	0.046	4	109.7947	0.002	4	108.8906	0.516	12	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:C-4:O[5]-2:	C-4:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5](N[5]C[5]Rh)(CC[5a]HH)(O[5]C[5])	H(CC[5a]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5](N[5]C[5]Rh)(CC[5a]HH)(O[5]C[5]){1|C<4>,3|H<1>}	H(CC[5a]C[5]H)	108.4385	0.331	8	108.4385	0.110	8	108.8906	0.516	12	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[6a]-3:C[5]-3:H-1:H-1:	N[5]-3:C-4:N[5]-2:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)(H)2	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5])	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)(H)2	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	H(CC[6a]C[5]H)	108.8925	0.053	2	108.8925	0.003	2	108.7650	0.784	26	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[6a]-3:C[5]-3:H-1:H-1:	N[5]-3:C-4:N[5]-2:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5])	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	H(CC[6a]C[5]H)	109.0724	0.213	12	109.0724	0.045	12	108.7650	0.784	26	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	C[6a]-3:C[5]-3:H-1:H-1:	N[5]-3:C-4:N[5]-2:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	H(CC[6a]C[5]H)	108.4362	1.229	12	108.4362	1.511	12	108.7650	0.784	26	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]H)(CN[5a]HH)(N[5]N[5])	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]H)(CN[5a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	H(CN[5a]C[5]H)	109.8170	0.041	2	109.8170	0.002	2	109.8170	0.002	2	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:C-4:N[5]-2:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5])	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	H(CN[5a]C[5]H)	109.5735	0.008	2	109.5735	0.000	2	109.2582	0.057	28	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:C-4:N[5]-2:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5])	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	H(CN[5a]C[5]H)	109.3520	0.033	2	109.3520	0.001	2	109.2582	0.057	28	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:C-4:N[5]-2:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5])	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	H(CN[5a]C[5]H)	109.2461	0.262	18	109.2461	0.069	18	109.2582	0.057	28	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:C-4:N[5]-2:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5])	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	H(CN[5a]C[5]H)	109.1583	0.139	6	109.1583	0.019	6	109.2582	0.057	28	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:2:	4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:C-4:O[5]-2:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]O[5])(H)2	C[5](N[5]C[5]Pd)(CN[5a]HH)(O[5]C[5])	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]O[5])(H)2	C[5](N[5]C[5]Pd)(CN[5a]HH)(O[5]C[5]){4|H<1>}	H(CN[5a]C[5]H)	109.2425	0.013	2	109.2425	0.000	2	109.2425	0.000	2	109.0038	0.351	104	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH){1|C<3>,1|H<1>,2|O<2>}	H(CC[5]CH)	108.6416	0.618	5	108.6416	0.382	5	108.6416	0.382	5	108.8876	0.202	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)2(H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]2)2(H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[5]HH){2|C<3>,2|H<1>}	H(CC[5]2H)	108.6470	0.028	2	108.6470	0.001	2	108.6470	0.001	2	108.8876	0.202	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6]C[5])(NHS)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN)	H(CC[5]HN)	C(C[5]C[5,6]C[5])(NHS)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN){2|C<4>,3|H<1>}	H(CC[5]HN)	109.5905	0.016	2	109.5905	0.000	2	109.5905	0.000	2	108.8876	0.202	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(NCS)(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN)	H(CC[5]HN)	C(C[5]C[5]2)(NCS)(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN){1|O<1>,2|C<3>}	H(CC[5]HN)	109.0120	0.007	2	109.0120	0.000	2	109.0120	0.000	2	108.8876	0.202	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH){4|C<3>}	H(CC[6a]C[5]H)	109.0305	0.011	2	109.0305	0.000	2	108.8988	0.017	5	108.8876	0.202	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH){4|C<3>}	H(CC[6a]C[5]H)	108.7710	0.034	2	108.7710	0.001	2	108.8988	0.017	5	108.8876	0.202	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH){2|C<3>,4|H<1>}	H(CC[6a]C[5]H)	108.8910	0.000	1	108.8910	0.000	1	108.8988	0.017	5	108.8876	0.202	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:2:2:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:N[5]-2:O[5]-2:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	H(CC[6a]C[5]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|C<4>,1|S<1>}	H(CC[6a]C[5]H)	109.1460	0.000	1	109.0618	0.015	13	109.0618	0.015	13	109.8542	1.385	44	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:2:2:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:N[5]-2:O[5]-2:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	H(CC[6a]C[5]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	H(CC[6a]C[5]H)	109.0548	0.124	12	109.0618	0.015	13	109.0618	0.015	13	109.8542	1.385	44	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:2:2:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C-4:N[5]-2:N[5]-2:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[5](CC[6a]HH)(N[5]N[5])2	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[5](CC[6a]HH)(N[5]N[5])2	H(CC[6a]C[5]H)	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	109.8542	1.385	44	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:2:2:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C-4:N[5]-2:N[5]-2:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](CN[5a]HH)(N[5]N[5])2	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](CN[5a]HH)(N[5]N[5])2	H(CN[5a]C[5]H)	109.9109	0.804	8	109.9109	0.647	8	110.4723	1.653	24	109.8542	1.385	44	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:2:2:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C-4:N[5]-2:N[5]-2:	C-4:	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	C[5](CN[5a]HH)(N[5]N[5])2	H(CN[5a]C[5]H)	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	C[5](CN[5a]HH)(N[5]N[5])2	H(CN[5a]C[5]H)	110.7530	1.408	16	110.7530	1.981	16	110.4723	1.653	24	109.8542	1.385	44	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:2:2:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C-4:N[5]-2:O[5]-2:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5](CN[5a]HH)(N[5]N[5])(O[5]C[5])	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5](CN[5a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	H(CN[5a]C[5]H)	109.2007	0.257	4	109.2007	0.066	4	109.2007	0.066	4	109.8542	1.385	44	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:2:2:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C-4:N[5]-2:S[5]-2:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	C[5](CN[5a]HH)(N[5]N[5])(S[5]C[5])	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	C[5](CN[5a]HH)(N[5]N[5])(S[5]C[5]){1|H<1>,1|S<1>}	H(CN[5a]C[5]H)	109.5990	0.010	2	109.5990	0.000	2	109.5990	0.000	2	109.8542	1.385	44	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:2:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,6]N[5])(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6]N[5])(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.7305	0.028	2	108.7305	0.001	2	108.7305	0.001	2	108.7305	0.001	2	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.9715	0.521	4	108.8888	0.180	6	108.8888	0.180	6	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.7235	0.015	2	108.8888	0.180	6	108.8888	0.180	6	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(CCC)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6]C[5])(CCC)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH){2|C<4>,3|H<1>}	H(CC[5]CH)	108.7500	0.000	1	108.7500	0.000	1	109.3512	0.138	5	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH){2|C<4>,3|H<1>}	H(CC[5]CH)	109.5015	0.183	4	109.5015	0.034	4	109.3512	0.138	5	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH){2|C<4>,2|H<1>}	H(CC[5]CH)	108.7284	0.317	5	108.7284	0.101	5	108.8639	0.224	14	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	H(CC[5]CH)	109.6550	0.000	1	109.6550	0.000	1	108.8639	0.224	14	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|S<4>,2|H<1>}	H(CC[5]CH)	109.4530	0.006	2	109.4530	0.000	2	108.8639	0.224	14	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]CH)	108.6755	0.872	2	108.6755	0.760	2	108.8639	0.224	14	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH){1|O<1>}	H(CC[5]CH)	108.5290	0.027	2	108.5290	0.001	2	108.8639	0.224	14	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]N[5,6]CC)(C[5]C[5,6]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]N[5,6]CC)(C[5]C[5,6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CH)	108.7410	0.089	2	108.7410	0.008	2	108.8639	0.224	14	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CC[6a]O)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC[6a]O)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH){1|O<1>}	H(CC[5]CH)	109.6840	1.116	2	109.6840	1.245	2	109.6840	1.245	2	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(COO)(H)2	C[5](P[5]C[6a]2C[5])(C[5]P[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]P[5])(COO)(H)2	C[5](P[5]C[6a]2C[5])(C[5]P[5]O)(CCHH){7|C<3>}	H(CC[5]CH)	108.4595	0.011	2	108.4595	0.000	2	108.4595	0.000	2	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	H(CC[5]2H)	108.7440	0.040	2	108.7440	0.002	2	108.7440	0.002	2	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]2)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHN){2|C<4>,2|H<1>}	H(CC[5]HN)	109.6617	0.045	4	109.6617	0.002	4	109.2893	0.334	6	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(NC[6a]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]2)(NC[6a]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHN){1|C<3>,2|H<1>}	H(CC[5]HN)	108.5445	0.016	2	108.5445	0.000	2	109.2893	0.334	6	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5]-3:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NC[6a]Al)(H)2	C[5](C[5]C[5]Al2)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NC[6a]Al)(H)2	C[5](C[5]C[5]Al2)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	110.2575	0.066	6	110.2575	0.004	6	110.2575	0.004	6	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH){2|C<3>,2|H<1>}	H(CC[5a]C[5]H)	108.3845	0.016	2	108.3845	0.000	2	108.4222	0.002	6	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH)	H(CC[5a]C[5]H)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH){1|O<1>}	H(CC[5a]C[5]H)	108.4410	0.038	4	108.4410	0.001	4	108.4222	0.002	6	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH){1|O<2>,3|H<1>}	H(CC[6a]C[5]H)	109.5075	0.064	2	109.5075	0.004	2	108.9176	0.109	22	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH){4|H<1>}	H(CC[6a]C[5]H)	109.0455	0.199	4	109.0455	0.040	4	108.9176	0.109	22	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	H(CC[6a]C[5]H)	109.3670	0.028	2	109.3670	0.001	2	108.9176	0.109	22	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|O<1>}	H(CC[6a]C[5]H)	108.9520	0.000	1	108.9520	0.000	1	108.9176	0.109	22	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|H<1>}	H(CC[6a]C[5]H)	108.7670	0.240	4	108.7670	0.057	4	108.9176	0.109	22	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	H(CC[6a]C[5]H)	108.6005	0.035	2	108.6005	0.001	2	108.9176	0.109	22	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH){1|B<4>,2|H<1>,2|N<3>}	H(CC[6a]C[5]H)	108.5820	0.244	3	108.5820	0.059	3	108.9176	0.109	22	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.9110	0.007	2	108.9110	0.000	2	108.9176	0.109	22	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]HH){1|O<1>,1|S<4>}	H(CC[6a]C[5]H)	108.7340	0.033	2	108.7340	0.001	2	108.9176	0.109	22	109.0417	0.346	71	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:4:2:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]N[5])	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]N[5]){3|C<3>}	H(CC[6a]C[5]H)	109.0400	0.017	2	109.0400	0.000	2	109.1043	0.006	4	109.1043	0.006	4	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:4:2:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|C<4>}	H(CC[6a]C[5]H)	109.1685	0.029	2	109.1685	0.001	2	109.1043	0.006	4	109.1043	0.006	4	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|O<1>}	H(CC[5]N[5]H)	108.9275	0.025	2	108.9275	0.001	2	108.9275	0.001	2	108.9275	0.001	2	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	3:2:4:	4:	C[5]-3:C[6a]-3:O-2:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO){1|C<3>,1|I<1>}	H(CC[6a]C[5]O)	108.6075	0.876	2	108.6075	0.768	2	108.6075	0.768	2	108.6075	0.768	2	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	3:3:4:	4:	C[5]-3:C[6a]-3:O-2:H-1:	N[5,5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5,5]N[5])(C[6a]C[6a]2)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[5]N[5,5]N[5])(C[6a]C[6a]2)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(CC[6a]HO){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[5]O)	108.9457	0.306	3	108.9457	0.094	3	108.9457	0.094	3	108.5765	0.491	15	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	3:3:4:	4:	C[5]-3:N[5]-3:O-2:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CN[5]HO)	H(CC[5]N[5]O)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CN[5]HO){2|C<4>}	H(CC[5]N[5]O)	108.1015	0.245	2	108.1015	0.060	2	108.1015	0.060	2	108.5765	0.491	15	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO){1|H<1>,1|O<2>}	H(CC[6a]C[5]O)	110.1300	0.000	1	110.1300	0.000	1	108.6570	0.769	8	108.5765	0.491	15	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	H(CC[6a]C[5]O)	108.9870	0.064	2	108.9870	0.004	2	108.6570	0.769	8	108.5765	0.491	15	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO){2|C<3>}	H(CC[6a]C[5]O)	107.1600	0.000	1	107.1600	0.000	1	108.6570	0.769	8	108.5765	0.491	15	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	H(CC[6a]C[5]O)	108.4943	0.570	3	108.4943	0.325	3	108.6570	0.769	8	108.5765	0.491	15	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	H(CC[6a]C[5]O)	108.5090	0.000	1	108.5090	0.000	1	108.6570	0.769	8	108.5765	0.491	15	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(OAl)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]N[5]2)(OAl)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]HO){2|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.1440	0.000	1	108.1440	0.000	1	108.1755	0.002	2	108.5765	0.491	15	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(OAl)(H)	C[5](N[5]C[6a]C[5])2(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]N[5]2)(OAl)(H)	C[5](N[5]C[6a]C[5])2(CC[6a]HO){2|H<1>,4|C<3>}	H(CC[6a]C[5]O)	108.2070	0.000	1	108.2070	0.000	1	108.1755	0.002	2	108.5765	0.491	15	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	4:3:4:	4:	C[5]-3:C-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(COO)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CCHO)	H(CC[5]CO)	C(C[5]C[5]N[5])(COO)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CCHO){4|C<3>}	H(CC[5]CO)	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	107.7057	2.138	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	4:3:4:	4:	C[5]-3:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5]O)	106.1000	0.000	1	106.1000	0.000	1	107.7640	5.538	2	107.7057	2.138	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	4:3:4:	4:	C[5]-3:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO){3|C<3>,3|H<1>}	H(CC[6a]C[5]O)	109.4280	0.000	1	109.4280	0.000	1	107.7640	5.538	2	107.7057	2.138	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	4:3:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO){1|O<2>,3|H<1>}	H(CC[6a]C[5]O)	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	107.7057	2.138	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:2:1:	4:3:4:	4:	C[6a]-3:C[5]-3:S-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(SC)(H)	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS)	H(CC[6a]C[5]S)	C(C[6a]C[6a]2)(C[5]C[5]2)(SC)(H)	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS){6|C<3>}	H(CC[6a]C[5]S)	106.7295	1.223	2	106.7295	1.495	2	106.7295	1.495	2	107.7057	2.138	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5])(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH){1|P<4>,2|C<3>,2|H<1>}	H(CC[5]CC)	107.4720	0.000	1	107.4720	0.000	1	107.4720	0.000	1	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)3(H)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]2H)	H(CC[5]3)	C(C[5]N[5]2)3(H)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]2H){2|C<3>}	H(CC[5]3)	106.0687	0.037	3	106.0687	0.001	3	106.0687	0.001	3	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-3:H-1:	C[5]-3:S[5]-3:C-4:	C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	H(CC[6a]C[5]C)	105.9360	0.000	1	105.9360	0.000	1	105.9360	0.000	1	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]2H)	H(CC[6a]2C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]2H){2|H<1>}	H(CC[6a]2C[5])	106.9085	0.331	6	106.9085	0.109	6	106.9085	0.109	6	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[6a]2H)	H(CC[6a]2C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[6a]2H){1|B<4>,1|H<1>}	H(CC[6a]2C[5])	107.1625	1.773	12	107.1625	3.143	12	106.9739	2.640	15	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]2H)	H(CC[6a]2C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]2H){1|B<4>,1|H<1>}	H(CC[6a]2C[5])	106.2197	0.363	3	106.2197	0.132	3	106.9739	2.640	15	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:N-3:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN){1|H<1>,4|C<3>}	H(CC[6a]C[5]N)	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:N-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(NC[6a]H)(COO)(H)	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN)	H(CC[5]CN)	C(C[5]C[5]2)(NC[6a]H)(COO)(H)	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN){4|H<1>}	H(CC[5]CN)	107.3930	0.000	1	107.3930	0.000	1	107.3930	0.000	1	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CN[5]2H)	H(CC[5]N[5]2)	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CC[5]N[5]2)	107.5340	0.000	1	107.5340	0.000	1	109.0023	1.701	3	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CN[5]2H)	H(CC[5]N[5]2)	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CN[5]2H){1|C<4>,1|H<1>}	H(CC[5]N[5]2)	109.7365	0.411	2	109.7365	0.169	2	109.0023	1.701	3	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH){1|C<3>,3|H<1>}	H(CC[6a]C[5]C)	106.2030	0.000	1	106.2030	0.000	1	106.2030	0.000	1	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2H)	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2H){2|C<4>}	H(CC[6a]2C[5])	105.6180	0.000	1	105.6180	0.000	1	105.0785	0.582	2	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H)	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H){2|H<1>}	H(CC[6a]2C[5])	104.5390	0.000	1	104.5390	0.000	1	105.0785	0.582	2	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(C[5]N[5]2)(H)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CN[5]2H)	H(CC[5]N[5]2)	C(N[5]C[5]N[5])2(C[5]N[5]2)(H)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CN[5]2H){2|H<1>}	H(CC[5]N[5]2)	105.0690	0.000	1	105.0690	0.000	1	105.0690	0.000	1	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CN[5a]N[5]H)	H(CN[5a]C[5]N[5])	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CN[5a]N[5]H){2|C<3>}	H(CN[5a]C[5]N[5])	106.7760	0.059	2	106.7760	0.004	2	106.7760	0.004	2	106.9178	2.026	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:4:2:	4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C-4:O[5]-2:	C-4:	C(C[5]C[5]O[5])(C[6a]C[6a]2)2(H)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])	H(CC[6a]2C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)2(H)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5]){1|C<4>,4|C<3>}	H(CC[6a]2C[5])	105.7190	0.000	1	105.7190	0.000	1	105.7190	0.000	1	106.3662	0.444	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:4:2:	4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C-4:S[5]-2:	C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[5](C[5]S[5]C)(CC[6a]2H)(S[5]C[5])	H(CC[6a]2C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[5](C[5]S[5]C)(CC[6a]2H)(S[5]C[5]){1|S<1>}	H(CC[6a]2C[5])	107.2060	0.000	2	107.2060	0.000	2	107.2060	0.000	2	106.3662	0.444	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:4:2:	4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5]-3:C-4:O[5]-2:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(H)	C[5](N[5]C[5]Rh)(CC[6a]2H)(O[5]C[5])	H(CC[6a]2C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(H)	C[5](N[5]C[5]Rh)(CC[6a]2H)(O[5]C[5]){2|C<4>,2|H<1>}	H(CC[6a]2C[5])	106.1760	0.000	1	106.1760	0.000	1	106.1760	0.000	1	106.3662	0.444	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5])	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5]){4|C<3>}	H(CC[5a]C[6a]C[5])	105.9450	0.010	2	105.9450	0.000	2	105.9450	0.000	2	106.3662	0.444	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	3:4:4:	4:	C[5]-3:C-3:C-3:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(COO)2(H)	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(COO)2(H)	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH){1|C<4>,2|N<3>,3|C<3>}	H(CC[5]CC)	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:2:	4:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[5]-3:Se[5]-2:	C-4:	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5])	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5]){1|C<4>,1|H<1>}	H(CC[5a]C[6a]C[5])	106.2965	0.180	2	106.2965	0.033	2	106.2965	0.033	2	106.2965	0.033	2	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C)	H(CC[6a]C[5]2)	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C){1|C<4>,1|H<1>}	H(CC[6a]C[5]2)	106.2540	0.008	2	106.2540	0.000	2	106.2540	0.000	2	106.0741	0.937	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	H(CC[5a]C[6a]C[5])	107.0918	0.654	4	107.0918	0.428	4	107.1952	0.301	6	106.0741	0.937	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	H(CC[5a]C[6a]C[5])	107.4020	0.310	2	107.4020	0.096	2	107.1952	0.301	6	106.0741	0.937	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	H(CC[6a]C[5]2)	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|H<1>}	H(CC[6a]C[5]2)	105.4705	0.028	2	105.4705	0.001	2	105.2994	0.042	8	106.0741	0.937	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N)	H(CC[6a]C[5]2)	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N){2|H<1>}	H(CC[6a]C[5]2)	105.4315	0.033	2	105.4315	0.001	2	105.2994	0.042	8	106.0741	0.937	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)2	H(CC[6a]C[5]2)	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)2{4|H<1>}	H(CC[6a]C[5]2)	105.1478	0.189	4	105.1478	0.036	4	105.2994	0.042	8	106.0741	0.937	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:C[6]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O)	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[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|O<1>}	H(CC[6a]C[5]C[6])	105.1860	0.000	1	105.1860	0.000	1	105.1860	0.000	1	106.0741	0.937	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:4:	4:	C[5]-3:C-3:C-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(COO)2(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6]C[5])(COO)2(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]CC)	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	107.3803	0.657	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:4:	4:	C[5]-3:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCH)(COO)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CCH)(COO)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH){1|S<4>,2|H<1>}	H(CC[5]CC)	107.8340	0.000	1	107.8340	0.000	1	107.9895	0.048	2	107.3803	0.657	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:4:	4:	C[5]-3:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(COO)2(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(COO)2(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH){2|C<3>}	H(CC[5]CC)	108.1450	0.000	1	108.1450	0.000	1	107.9895	0.048	2	107.3803	0.657	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:4:	4:	C[5]-3:C[6a]-3:C-3:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	H(CC[6a]C[5]C)	106.1750	0.000	1	106.1750	0.000	1	106.1750	0.000	1	107.3803	0.657	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:4:	4:	C[5a]-3:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(NCN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5a]HN)	H(CC[5a]C[5]N)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(NCN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5a]HN){4|H<1>}	H(CC[5a]C[5]N)	106.5960	0.000	1	106.5960	0.000	1	106.5960	0.000	1	107.3803	0.657	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH){4|H<1>}	H(CC[6a]C[5]C)	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	107.3803	0.657	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:4:2:	4:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[5]-4:N[5]-2:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]CH)(N[5]O[5])	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]CH)(N[5]O[5]){2|H<1>}	H(CC[5a]C[6a]C[5])	106.1500	0.000	1	106.1500	0.000	1	106.1500	0.000	1	106.1500	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:3:1:	4:4:3:	4:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[5]-4:N[5]-3:	C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]MnH)(N[5]C[5]Mn)	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]MnH)(N[5]C[5]Mn){1|C<3>,1|H<1>}	H(CC[5a]C[6a]C[5])	106.6840	2.300	2	106.6840	5.288	2	106.6840	5.288	2	106.6840	5.288	2	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:2:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	H(CC[6a]C[5]C)	105.2798	0.148	4	105.2798	0.022	4	106.4250	1.055	10	106.4250	1.055	10	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:2:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	H(CC[6a]C[5]C)	106.9300	0.364	3	106.9300	0.132	3	106.4250	1.055	10	106.4250	1.055	10	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:2:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	H(CC[6a]C[5]C)	107.4470	0.100	3	107.4470	0.010	3	106.4250	1.055	10	106.4250	1.055	10	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5,6]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6]N[5])2(CC[5]2H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cu)(CC[5]CH)	H(CC[5]2C)	C(C[5]C[5,6]N[5])2(CC[5]2H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cu)(CC[5]CH){1|H<1>,3|C<3>}	H(CC[5]2C)	107.6020	0.017	2	107.6020	0.000	2	107.6020	0.000	2	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(CCCH)(H)	C[5](N[5]C[5]H)2(CC[5]CH)	H(CC[5]2C)	C(C[5]N[5]2)2(CCCH)(H)	C[5](N[5]C[5]H)2(CC[5]CH){2|H<1>}	H(CC[5]2C)	107.4895	0.008	2	107.4895	0.000	2	107.7268	2.078	11	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CH)	H(CC[5]2C)	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CH){2|C<3>}	H(CC[5]2C)	109.2840	0.016	2	109.2840	0.000	2	107.7268	2.078	11	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CC[5]CH)	H(CC[5]2C)	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CC[5]CH){2|C<3>}	H(CC[5]2C)	105.8840	0.000	1	105.8840	0.000	1	107.7268	2.078	11	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]CH)	H(CC[5]2C)	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]CH){1|C<4>,1|H<1>}	H(CC[5]2C)	106.1785	0.016	2	106.1785	0.000	2	107.7268	2.078	11	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5]H)2(CC[5]CH)	H(CC[5]2C)	C(C[5]N[5]2)2(CCHH)(H)	C[5](N[5]C[5]H)2(CC[5]CH){2|H<1>}	H(CC[5]2C)	107.0460	0.025	2	107.0460	0.001	2	107.7268	2.078	11	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(CC[6a]2H)(H)	C[5](N[5]C[5]Pd)(N[5]C[5]C)(CC[5]CH)	H(CC[5]2C)	C(C[5]N[5]2)2(CC[6a]2H)(H)	C[5](N[5]C[5]Pd)(N[5]C[5]C)(CC[5]CH){2|H<1>}	H(CC[5]2C)	109.5575	0.025	2	109.5575	0.001	2	107.7268	2.078	11	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[5]-3:N-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(NCuCH)(H)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CC[5]HN)	H(CC[5]2N)	C(C[5]N[5]2)2(NCuCH)(H)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CC[5]HN){2|H<1>}	H(CC[5]2N)	108.8057	0.208	4	108.8057	0.043	4	108.7555	1.459	6	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[5]-3:N-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)2(NH3)(H)	C[5](N[5]C[5]H)2(CC[5]HN)	H(CC[5]2N)	C(C[5]N[5]2)2(NH3)(H)	C[5](N[5]C[5]H)2(CC[5]HN){2|H<1>}	H(CC[5]2N)	108.6550	2.671	2	108.6550	7.137	2	108.7555	1.459	6	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6]-3:C-4:H-1:	C[5,6]-3:N[5]-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[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]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[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH){1|H<1>,3|C<3>}	H(CC[5]C[6]C)	107.2710	0.071	2	107.2710	0.005	2	107.3690	0.065	6	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6]-3:C-4:H-1:	C[5,6]-3:N[5]-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[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[6]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[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[6]CH){1|H<1>,3|C<3>}	H(CC[5]C[6]C)	107.7810	0.000	1	107.7810	0.000	1	107.3690	0.065	6	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6]-3:C-4:H-1:	C[5,6]-3:N[5]-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[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)(CC[6]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[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)(CC[6]CH){1|H<1>,3|C<3>}	H(CC[5]C[6]C)	107.3880	0.000	1	107.3880	0.000	1	107.3690	0.065	6	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6]-3:C-4:H-1:	C[5,6]-3:N[5]-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[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]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[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]CH){1|H<1>,3|C<3>}	H(CC[5]C[6]C)	107.2515	0.317	2	107.2515	0.101	2	107.3690	0.065	6	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	106.6810	0.000	1	106.6810	0.000	1	106.6810	0.000	1	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[5]-3:N-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[5]N[5]2)(NMoCH)(H)	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CC[6]HN)	H(CC[5]C[6]N)	C(C[6]C[6]N[6])(C[5]N[5]2)(NMoCH)(H)	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CC[6]HN){2|H<1>}	H(CC[5]C[6]N)	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH){4|H<1>}	H(CC[6a]C[5]C)	107.2540	0.000	1	107.2540	0.000	1	107.6927	0.518	6	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	108.0950	0.000	1	108.0950	0.000	1	107.6927	0.518	6	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]CH){2|C<4>}	H(CC[6a]C[5]C)	108.0060	0.000	1	108.0060	0.000	1	107.6927	0.518	6	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C[5](C[5]C[5,6a]O)2(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	H(CC[6a]C[5]C)	107.0170	0.264	2	107.0170	0.070	2	107.6927	0.518	6	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	C[5](C[5]C[5]H)2(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	C[5](C[5]C[5]H)2(CC[6a]CH){3|H<1>}	H(CC[6a]C[5]C)	108.7670	0.000	1	108.7670	0.000	1	107.6927	0.518	6	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:P[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[6a]CH){1|C<3>,1|C<4>}	H(CC[6a]C[5]C)	107.1370	0.000	1	107.1370	0.000	1	107.1370	0.000	1	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CCHH)(H)	C[5](N[5]C[6a]C[5])2(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CCHH)(H)	C[5](N[5]C[6a]C[5])2(CC[6a]CH){2|H<1>,4|C<3>}	H(CC[6a]C[5]C)	105.3840	0.000	1	105.3840	0.000	1	104.4460	1.760	2	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]HH)(H)	C[5](N[5]C[6a]C[5])2(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]HH)(H)	C[5](N[5]C[6a]C[5])2(CC[6a]CH){2|H<1>,4|C<3>}	H(CC[6a]C[5]C)	103.5080	0.000	1	103.5080	0.000	1	104.4460	1.760	2	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:P-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP)	H(CC[6a]C[5]P)	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP){2|C<3>}	H(CC[6a]C[5]P)	105.3900	0.000	1	105.3900	0.000	1	105.3900	0.000	1	107.6507	2.370	37	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:4:2:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[6a]N[5])(CC[6a]CH)(N[5]N[5])	H(CC[6a]C[5]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[6a]N[5])(CC[6a]CH)(N[5]N[5]){2|Rh<6>,2|C<3>}	H(CC[6a]C[5]C)	106.8705	0.333	4	106.8705	0.111	4	106.8705	0.111	4	107.8255	0.645	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:4:2:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:	C-4:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5])	H(CC[6a]C[5]C)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5]){1|H<1>,1|S<1>}	H(CC[6a]C[5]C)	107.5355	0.019	2	107.5355	0.000	2	107.5355	0.000	2	107.8255	0.645	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:4:2:	4:	C[6a]-3:C[5]-3:C-4:H-1:	N[5]-3:C-4:N[5]-2:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[5](N[5]C[5]H)(CC[6a]CH)(N[5]N[5])	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[5](N[5]C[5]H)(CC[6a]CH)(N[5]N[5]){1|H<1>,1|S<1>}	H(CC[6a]C[5]C)	107.7260	0.000	1	107.7260	0.000	1	108.2255	0.441	11	107.8255	0.645	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:4:2:	4:	C[6a]-3:C[5]-3:C-4:H-1:	N[5]-3:C-4:N[5]-2:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5])	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5]){1|C<4>,1|S<1>}	H(CC[6a]C[5]C)	108.0363	0.167	6	108.2929	0.514	9	108.2255	0.441	11	107.8255	0.645	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:4:2:	4:	C[6a]-3:C[5]-3:C-4:H-1:	N[5]-3:C-4:N[5]-2:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5])	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5]){1|H<1>,1|S<1>}	H(CC[6a]C[5]C)	108.8060	1.180	3	108.2929	0.514	9	108.2255	0.441	11	107.8255	0.645	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:4:2:	4:	C[6a]-3:C[5]-3:C-4:H-1:	N[5]-3:C-4:N[5]-2:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[5](N[5]C[6a]C[5])(CC[6a]CH)(N[5]N[5])	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[5](N[5]C[6a]C[5])(CC[6a]CH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	H(CC[6a]C[5]C)	108.1190	0.000	1	108.1190	0.000	1	108.2255	0.441	11	107.8255	0.645	17	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	3:4:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH){1|S<4>,2|H<1>,4|C<3>}	H(CC[6a]C[5]C)	106.5990	0.000	1	106.5990	0.000	1	106.5990	0.000	1	106.5990	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	4:2:2:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:N[5]-2:O[5]-2:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	C[5](CC[6a]CH)(N[5]C[5])(O[5]C[5])	H(CC[6a]C[5]C)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	C[5](CC[6a]CH)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<4>}	H(CC[6a]C[5]C)	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	4:3:4:	4:	B[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH)	H(CB[5]C[5]C)	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH){1|C<4>,3|C<3>,3|H<1>}	H(CB[5]C[5]C)	108.3957	0.126	3	108.3957	0.016	3	108.3957	0.016	3	107.6030	1.662	5	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	4:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	H(CC[6a]C[5]C)	105.4380	0.000	1	105.4380	0.000	1	105.4380	0.000	1	107.6030	1.662	5	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]CH){2|C<4>,2|H<1>}	H(CC[6a]C[5]C)	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	107.6030	1.662	5	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	4:4:2:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-4:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C[5](C[5]C[5]CH)(CC[6a]CH)(N[5]O[5])	H(CC[6a]C[5]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C[5](C[5]C[5]CH)(CC[6a]CH)(N[5]O[5]){2|H<1>}	H(CC[6a]C[5]C)	106.7480	0.000	1	106.7480	0.000	1	106.7480	0.000	1	106.7480	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	4:4:3:	4:	C[6,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C[5]-3:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	C[5](C[5]C[5]ZnH)(CC[6,6]CH)(C[5]C[5]H)	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[5](C[5]C[5]ZnH)(CC[6,6]CH)(C[5]C[5]H){2|H<1>}	H(CC[6,6]C[5]C)	104.4950	0.000	1	104.4950	0.000	1	104.4950	0.000	1	104.4950	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:C[5]-3:B-4:H-1:	P[5]-4:P[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	C[5](P[5]C[6a]2C[5])2(CC[6a]BH)	H(CC[6a]C[5]B)	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	C[5](P[5]C[6a]2C[5])2(CC[6a]BH){1|B<4>,1|H<1>,8|C<3>}	H(CC[6a]C[5]B)	103.5660	0.000	1	103.5660	0.000	1	103.5660	0.000	1	103.5660	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-2:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(CCHH)(H)2	C[5](C[5]C[5,5a])(S[5]C[5,5a])(CCHH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CCHH)(H)2	C[5](C[5]C[5,5a])(S[5]C[5,5a])(CCHH){1|C<3>,1|S<2>}	H(CC[5]CH)	108.6713	0.370	8	108.6713	0.137	8	108.6713	0.137	8	108.8574	0.328	41	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]N[5])2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]N[5])2(CCHH)	H(CC[5]CH)	108.8770	0.023	2	108.8770	0.001	2	108.8877	1.565	6	108.8574	0.328	41	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5,6])2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5,6])2(CCHH){2|C<3>}	H(CC[5]CH)	109.1465	2.179	2	109.1465	4.746	2	108.8877	1.565	6	108.8574	0.328	41	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5,6a])2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5,6a])2(CCHH){2|C<3>}	H(CC[5]CH)	108.6395	1.679	2	108.6395	2.820	2	108.8877	1.565	6	108.8574	0.328	41	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CCCH)(H)2	C[5](N[5]C[5])(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CCCH)(H)2	C[5](N[5]C[5])(O[5]C[5])(CCHH){1|C<4>,3|H<1>}	H(CC[5]CH)	108.6020	0.035	2	108.6020	0.001	2	108.9646	0.099	21	108.8574	0.328	41	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CCHH)(H)2	C[5](N[5]C[5])(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CCHH)(H)2	C[5](N[5]C[5])(O[5]C[5])(CCHH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CH)	108.8713	0.335	4	108.8665	0.048	8	108.9646	0.099	21	108.8574	0.328	41	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CCHH)(H)2	C[5](N[5]C[5])(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CCHH)(H)2	C[5](N[5]C[5])(O[5]C[5])(CCHH){4|H<1>}	H(CC[5]CH)	108.8618	0.026	4	108.8665	0.048	8	108.9646	0.099	21	108.8574	0.328	41	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CCHH)(H)2	C[5](N[5]N[5])(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CCHH)(H)2	C[5](N[5]N[5])(O[5]C[5])(CCHH){1|H<1>,1|S<1>}	H(CC[5]CH)	109.2087	0.108	4	109.2087	0.012	4	108.9646	0.099	21	108.8574	0.328	41	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CC[6a]HH)(H)2	C[5](N[5]N[5])(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CC[6a]HH)(H)2	C[5](N[5]N[5])(O[5]C[5])(CCHH){1|H<1>,1|S<1>}	H(CC[5]CH)	109.0120	0.435	6	109.0120	0.189	6	108.9646	0.099	21	108.8574	0.328	41	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CN[5a]HH)(H)2	C[5](N[5]N[5])(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CN[5a]HH)(H)2	C[5](N[5]N[5])(O[5]C[5])(CCHH){1|H<1>,1|S<1>}	H(CC[5]CH)	109.2140	0.000	1	109.2140	0.000	1	108.9646	0.099	21	108.8574	0.328	41	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(CCHH)(H)2	C[5](N[5]N[5])(S[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]S[5])(CCHH)(H)2	C[5](N[5]N[5])(S[5]C[5])(CCHH){1|Zn<4>,1|N<3>}	H(CC[5]CH)	108.3565	0.290	4	108.3565	0.084	4	108.3565	0.084	4	108.8574	0.328	41	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(NH3)(H)2	C[5](N[5]N[5])2(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NH3)(H)2	C[5](N[5]N[5])2(CHHN)	H(CC[5]HN)	109.3875	0.032	2	109.3875	0.001	2	109.3875	0.001	2	108.8574	0.328	41	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:3:4:	4:	C[5]-3:C-4:H-1:H-1:	O[5]-2:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5])(CH3)(H)2	C[5](O[5]C[5,5])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5])(CH3)(H)2	C[5](O[5]C[5,5])(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CH)	105.8900	2.428	2	105.8900	5.896	2	105.8900	5.896	2	107.9117	3.632	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	2:3:4:	4:	C[5]-3:C-4:H-1:H-1:	O[5]-2:N[5]-3:C-4:	C-4:	C(C[5]N[5]O[5])(CCHH)(H)2	C[5](O[5]Ge[5,5])(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CCHH)(H)2	C[5](O[5]Ge[5,5])(N[5]C[5]C)(CCHH){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	108.9225	0.027	4	108.9225	0.001	4	108.9225	0.001	4	107.9117	3.632	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:B-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(BC[6a]3)(H)2	C[5](C[5]O[5]C)(O[5]C[5])(CBHH)	H(CC[5]BH)	C(C[5]C[5]O[5])(BC[6a]3)(H)2	C[5](C[5]O[5]C)(O[5]C[5])(CBHH){1|C<3>}	H(CC[5]BH)	108.7280	0.021	2	108.7280	0.000	2	108.7280	0.000	2	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]CH)	108.4765	2.846	2	108.4765	8.100	2	108.4765	8.100	2	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Se[5]-2:C-4:	C-4:	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH){1|C<4>,3|C<3>}	H(CC[5]CH)	108.2710	0.235	8	108.2710	0.055	8	108.2710	0.055	8	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<4>}	H(CC[5]CH)	108.8370	0.034	2	108.8370	0.001	2	109.0002	0.083	20	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CCHH){1|H<1>}	H(CC[5]CH)	109.1145	0.015	2	109.1145	0.000	2	109.0002	0.083	20	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Cr<6>,1|Si<4>}	H(CC[5]CH)	108.9223	0.292	4	108.8995	0.082	12	109.0002	0.083	20	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Mo<6>,1|Si<4>}	H(CC[5]CH)	108.8770	0.321	4	108.8995	0.082	12	109.0002	0.083	20	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Si<4>,1|W<6>}	H(CC[5]CH)	108.8992	0.336	4	108.8995	0.082	12	109.0002	0.083	20	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>}	H(CC[5]CH)	109.3268	0.127	4	109.3268	0.016	4	109.0002	0.083	20	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(CCCO)(H)2	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5])(CCCO)(H)2	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCHH){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	108.7935	0.019	2	108.7935	0.000	2	108.9004	0.068	10	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(CCHH)(H)2	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5])(CCHH)(H)2	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CCHH){2|C<4>,2|H<1>}	H(CC[5]CH)	108.7745	0.067	2	108.7745	0.005	2	108.9004	0.068	10	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(CCHH)(H)2	C[5](C[5]C[5]H)(O[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5])(CCHH)(H)2	C[5](C[5]C[5]H)(O[5]N[5])(CCHH){1|Ir<6>,1|C<3>}	H(CC[5]CH)	109.1223	0.299	4	109.1223	0.089	4	108.9004	0.068	10	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(CH3)(H)2	C[5](C[5]C[5]H)(O[5]Ge[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5])(CH3)(H)2	C[5](C[5]C[5]H)(O[5]Ge[5])(CCHH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	108.6895	0.047	2	108.6895	0.002	2	108.9004	0.068	10	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:P[5]-2:C-4:	C-4:	C(C[5]C[5]P[5])(CH3)(H)2	C[5](C[5]C[5]C)(P[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]P[5])(CH3)(H)2	C[5](C[5]C[5]C)(P[5]C[5])(CCHH){2|C<4>}	H(CC[5]CH)	108.8589	0.186	15	108.8589	0.034	15	108.8589	0.034	15	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(CCCH)(H)2	C[5](C[5]C[5,5]C)(S[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CCCH)(H)2	C[5](C[5]C[5,5]C)(S[5]C[5])(CCHH){1|N<2>,2|N<3>}	H(CC[5]CH)	108.5940	0.017	2	108.5940	0.000	2	108.7630	3.924	36	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(CCHH)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CCHH)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|H<1>,1|N<3>}	H(CC[5]CH)	108.4225	0.018	2	108.4225	0.000	2	108.7630	3.924	36	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](C[5]N[5,5]C)(S[5]C[5,5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](C[5]N[5,5]C)(S[5]C[5,5])(CCHH){1|H<1>,2|C<4>}	H(CC[5]CH)	107.9490	1.956	2	107.9490	3.825	2	108.7630	3.924	36	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.7861	2.284	26	108.8512	4.540	30	108.7630	3.924	36	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|Re<6>,1|H<1>}	H(CC[5]CH)	108.9455	0.053	2	108.8512	4.540	30	108.7630	3.924	36	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){2|C<4>}	H(CC[5]CH)	109.6035	0.015	2	108.8512	4.540	30	108.7630	3.924	36	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5]C[3]N[5])(Se[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5]C[3]N[5])(Se[5]N[5])(CCHH){1|H<1>,2|C<4>}	H(CC[5]CH)	109.1840	0.011	2	109.1840	0.000	2	108.5963	0.267	15	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(CCHH)	H(CC[5]CH)	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(CCHH){2|C<3>}	H(CC[5]CH)	108.3815	0.123	4	108.3815	0.015	4	108.5963	0.267	15	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5]C[5]N[5])(Se[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5]C[5]N[5])(Se[5]N[5])(CCHH){1|C<3>,1|N<2>}	H(CC[5]CH)	108.6065	0.948	4	108.6065	0.899	4	108.5963	0.267	15	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5]N[5]C)(Se[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5]N[5]C)(Se[5]N[5])(CCHH){1|C<4>}	H(CC[5]CH)	108.5250	0.153	5	108.5250	0.024	5	108.5963	0.267	15	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5,5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5,5]N[5])(CH3)(H)2	C[5](N[5,5]N[5,5]C[5])(N[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5,5]N[5])(CH3)(H)2	C[5](N[5,5]N[5,5]C[5])(N[5]C[5])(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CH)	108.8985	0.045	2	108.8985	0.002	2	108.8985	0.002	2	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Fe)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Fe)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	109.6905	0.032	2	109.6905	0.001	2	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CCHH){1|H<1>,1|S<1>}	H(CC[5]CH)	109.0398	0.565	12	109.0398	0.320	12	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]N[5]C)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]N[5]C)(N[5]N[5])(CCHH){1|O<1>}	H(CC[5]CH)	109.0000	0.024	2	109.0000	0.001	2	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]N[5]Cu)(N[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]N[5]Cu)(N[5]C[5])(CCHH){1|Cu<5>,1|C<3>}	H(CC[5]CH)	108.2987	0.035	3	108.2987	0.001	3	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CCHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(CCHH){1|C<3>,1|O<1>}	H(CC[5]CH)	108.8315	0.040	6	108.8315	0.002	6	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CC[6a]HH)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[6a]HH)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH){1|H<1>,1|S<1>,2|C<3>}	H(CC[5]CH)	108.8575	0.132	4	108.8575	0.017	4	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]N)(N[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]N)(N[5]C[5])(CCHH){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.7560	0.000	1	108.7560	0.000	1	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CCHH){1|C<4>,1|S<1>}	H(CC[5]CH)	108.7660	0.361	3	109.0410	0.070	14	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]N)(N[5]N[5])(CCHH){1|H<1>,1|S<1>}	H(CC[5]CH)	109.1160	0.190	11	109.0410	0.070	14	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH){1|Mn<6>,3|C<3>}	H(CC[5]CH)	107.7405	0.050	2	107.7405	0.003	2	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[6a]N[5])(N[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[6a]N[5])(N[5]C[5])(CCHH){1|C<4>,3|C<3>}	H(CC[5]CH)	107.7390	0.812	2	107.7390	0.659	2	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(CCHH){2|C<3>}	H(CC[5]CH)	108.6590	0.071	2	108.6590	0.005	2	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CN[5a]HH)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CN[5a]HH)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH){1|H<1>,1|S<1>,2|C<3>}	H(CC[5]CH)	109.9685	1.752	2	109.9685	3.068	2	108.8984	0.371	52	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CC[5]HH)(H)2	C[5](N[5]C[5]Cu)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CC[5]HH)(H)2	C[5](N[5]C[5]Cu)(O[5]C[5])(CCHH){2|C<4>,2|H<1>}	H(CC[5]CH)	108.9998	0.708	4	108.9998	0.502	4	108.9258	1.010	30	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CCHH){1|B<5>,1|C<3>,1|C<4>,1|H<1>,4|B<6>}	H(CC[5]CH)	109.6250	0.006	2	109.6250	0.000	2	108.9258	1.010	30	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5,5]Pd)(O[5]N[5,5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5,5]Pd)(O[5]N[5,5])(CCHH){1|H<1>,2|C<4>}	H(CC[5]CH)	109.2080	0.014	2	109.2080	0.000	2	108.9258	1.010	30	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH){1|C<4>,1|H<1>,1|N<3>}	H(CC[5]CH)	108.8000	0.479	4	108.8696	0.119	9	108.9258	1.010	30	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH){1|O<2>,2|C<4>}	H(CC[5]CH)	108.9252	0.241	5	108.8696	0.119	9	108.9258	1.010	30	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5]Cd)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5]Cd)(O[5]C[5])(CCHH){4|H<1>}	H(CC[5]CH)	109.4130	0.007	2	109.4130	0.000	2	108.9258	1.010	30	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5]Pd)(O[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5]Pd)(O[5]N[5])(CCHH){3|C<3>}	H(CC[5]CH)	110.4405	0.053	2	110.4405	0.003	2	108.9258	1.010	30	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5]Pt)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5]Pt)(O[5]C[5])(CCHH){4|H<1>}	H(CC[5]CH)	105.9720	0.089	2	105.9720	0.008	2	108.9258	1.010	30	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5]Pt)(O[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5]Pt)(O[5]N[5])(CCHH){1|C<3>}	H(CC[5]CH)	108.6072	0.522	5	108.9473	0.519	7	108.9258	1.010	30	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5]Pt)(O[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CH3)(H)2	C[5](N[5]C[5]Pt)(O[5]N[5])(CCHH){3|C<3>}	H(CC[5]CH)	109.7975	0.018	2	108.9473	0.519	7	108.9258	1.010	30	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]S[5])(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CCHH){2|H<1>}	H(CC[5]CH)	108.6660	0.014	2	108.6660	0.000	2	108.7097	0.003	4	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(CHPP)(H)2	C[5](N[5]C[5]H)(S[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]N[5]S[5])(CHPP)(H)2	C[5](N[5]C[5]H)(S[5]C[5])(CCHH){2|H<1>}	H(CC[5]CH)	108.7535	0.043	2	108.7535	0.002	2	108.7097	0.003	4	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(NCCH)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCCH)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHN){1|C<4>,1|H<1>}	H(CC[5]HN)	108.9642	0.065	4	108.9642	0.004	4	108.9642	0.004	4	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(NCdCH)(H)2	C[5](N[5]N[5]Cd)(N[5]N[5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCdCH)(H)2	C[5](N[5]N[5]Cd)(N[5]N[5])(CHHN){1|Cd<6>}	H(CC[5]HN)	109.7265	0.015	2	109.7265	0.000	2	109.2540	1.664	4	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(NMnCH)(H)2	C[5](N[5]N[5]Mn)(N[5]N[5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NMnCH)(H)2	C[5](N[5]N[5]Mn)(N[5]N[5])(CHHN){1|Mn<6>}	H(CC[5]HN)	108.7815	2.024	2	108.7815	4.098	2	109.2540	1.664	4	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(NC[6]ZnC)(H)2	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CHHN)	H(CC[5]HN)	C(C[5]N[5]O[5])(NC[6]ZnC)(H)2	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CHHN){2|C<3>}	H(CC[5]HN)	109.8500	0.038	2	109.8500	0.001	2	109.7973	0.113	40	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(NNiCC)(H)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]O[5])(NNiCC)(H)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHN){1|C<4>,3|H<1>}	H(CC[5]HN)	110.1034	0.197	5	109.8376	0.142	27	109.7973	0.113	40	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(NNiCC)(H)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]O[5])(NNiCC)(H)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHN){2|C<4>,2|H<1>}	H(CC[5]HN)	109.7772	0.385	22	109.8376	0.142	27	109.7973	0.113	40	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(NZnCC)(H)2	C[5](N[5]C[5,5]Zn)(O[5]C[5,5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]O[5])(NZnCC)(H)2	C[5](N[5]C[5,5]Zn)(O[5]C[5,5])(CHHN){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HN)	109.5580	0.057	4	109.5580	0.003	4	109.7973	0.113	40	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(NZnCC)(H)2	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CHHN)	H(CC[5]HN)	C(C[5]N[5]O[5])(NZnCC)(H)2	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CHHN){2|C<3>}	H(CC[5]HN)	109.6147	0.249	3	109.6147	0.062	3	109.7973	0.113	40	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(NZnCC)(H)2	C[5](N[5]C[5]Zn)(O[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]O[5])(NZnCC)(H)2	C[5](N[5]C[5]Zn)(O[5]C[5])(CHHN){1|C<3>,3|H<1>}	H(CC[5]HN)	109.6615	0.021	2	109.8745	0.061	4	109.7973	0.113	40	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(NZnCC)(H)2	C[5](N[5]C[5]Zn)(O[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]O[5])(NZnCC)(H)2	C[5](N[5]C[5]Zn)(O[5]C[5])(CHHN){2|C<3>,2|H<1>}	H(CC[5]HN)	110.0875	0.023	2	109.8745	0.061	4	109.7973	0.113	40	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(NCuCC)(H)2	C[5](N[5]C[5]Cu)(S[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]S[5])(NCuCC)(H)2	C[5](N[5]C[5]Cu)(S[5]C[5])(CHHN){2|H<1>}	H(CC[5]HN)	108.9065	0.049	2	108.9065	0.002	2	109.5370	0.199	19	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(NFeCC)(H)2	C[5](N[5]C[5]Fe)(S[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]S[5])(NFeCC)(H)2	C[5](N[5]C[5]Fe)(S[5]C[5])(CHHN){2|H<1>}	H(CC[5]HN)	109.7575	0.421	11	109.7575	0.178	11	109.5370	0.199	19	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(NZnCC)(H)2	C[5](N[5]C[5]Zn)(S[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]N[5]S[5])(NZnCC)(H)2	C[5](N[5]C[5]Zn)(S[5]C[5])(CHHN){2|H<1>}	H(CC[5]HN)	109.3430	0.219	6	109.3430	0.048	6	109.5370	0.199	19	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2Cu)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2Cu)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHP){1|C<4>,1|H<1>}	H(CC[5]HP)	109.0877	0.594	13	109.0877	0.353	13	109.0863	0.303	15	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2N)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2N)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHP){1|C<4>,1|H<1>}	H(CC[5]HP)	109.0775	0.005	2	109.0775	0.000	2	109.0863	0.303	15	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2C)(H)2	C[5](N[5]C[5]Zn)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2C)(H)2	C[5](N[5]C[5]Zn)(O[5]C[5])(CHHP){4|H<1>}	H(CC[5]HP)	109.6180	0.025	2	109.6180	0.001	2	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Co)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Co)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP){2|C<4>,2|H<1>}	H(CC[5]HP)	109.6855	0.098	2	109.1268	0.421	4	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Co)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Co)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP){4|H<1>}	H(CC[5]HP)	108.5680	0.072	2	109.1268	0.421	4	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Fe)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Fe)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP){4|H<1>}	H(CC[5]HP)	108.9995	0.289	4	108.9995	0.084	4	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Ni)(H)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Ni)(H)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHP){4|H<1>}	H(CC[5]HP)	110.4470	0.000	1	110.4470	0.000	1	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP){2|C<4>,2|H<1>}	H(CC[5]HP)	109.2610	0.023	2	109.2610	0.001	2	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHP){4|H<1>}	H(CC[5]HP)	108.8875	0.006	2	108.8875	0.000	2	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP){4|H<1>}	H(CC[5]HP)	108.5290	0.000	1	108.5290	0.000	1	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHP){1|C<3>,3|H<1>}	H(CC[5]HP)	110.6030	0.082	4	110.3536	0.048	22	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHP){2|C<4>,2|H<1>}	H(CC[5]HP)	110.3884	0.199	10	110.3536	0.048	22	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHP){4|H<1>}	H(CC[5]HP)	110.1854	0.146	8	110.3536	0.048	22	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Pt)(H)2	C[5](N[5]C[5]Pt)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Pt)(H)2	C[5](N[5]C[5]Pt)(O[5]C[5])(CHHP){4|H<1>}	H(CC[5]HP)	110.1902	0.062	6	110.1902	0.004	6	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Ru)(H)2	C[5](N[5]C[5]Ru)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Ru)(H)2	C[5](N[5]C[5]Ru)(O[5]C[5])(CHHP){2|C<4>,2|H<1>}	H(CC[5]HP)	110.5673	1.501	8	110.5673	2.254	8	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]FeC)(H)2	C[5](N[5]C[5]Fe)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]FeC)(H)2	C[5](N[5]C[5]Fe)(O[5]C[5])(CHHP){4|H<1>}	H(CC[5]HP)	110.6497	0.044	3	110.6497	0.002	3	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PCoCC)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PCoCC)(H)2	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP){4|H<1>}	H(CC[5]HP)	108.6610	0.033	2	108.6610	0.001	2	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(PIrCC)(H)2	C[5](N[5]C[5]Ir)(O[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PIrCC)(H)2	C[5](N[5]C[5]Ir)(O[5]C[5])(CHHP){1|C<3>,3|H<1>}	H(CC[5]HP)	109.6000	0.566	2	109.6000	0.320	2	109.9821	0.735	59	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(PC[6a]2C)(H)2	C[5](N[5]C[5]Zn)(S[5]C[5])(CHHP)	H(CC[5]HP)	C(C[5]N[5]S[5])(PC[6a]2C)(H)2	C[5](N[5]C[5]Zn)(S[5]C[5])(CHHP){4|H<1>}	H(CC[5]HP)	108.5580	0.011	2	108.5580	0.000	2	108.5580	0.000	2	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:2:4:	4:	C[5]-3:P[6]-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(P[6]O[6]2O)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CP[6]HH)	H(CC[5]P[6]H)	C(C[5]C[5]N[5])(P[6]O[6]2O)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(CP[6]HH){1|C<3>,1|C<4>}	H(CC[5]P[6]H)	108.1848	0.448	4	108.1848	0.201	4	108.1848	0.201	4	109.1868	1.027	343	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:B-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(BH3)(H)2	C[5](N[5]C[6a]C[5])2(CBHH)	H(CC[5]BH)	C(C[5]N[5]2)(BH3)(H)2	C[5](N[5]C[6a]C[5])2(CBHH){4|C<3>,4|H<1>}	H(CC[5]BH)	109.7270	0.018	2	109.7270	0.000	2	109.7270	0.000	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH){3|H<1>,4|C<4>}	H(CC[5]CH)	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C-4:	C-4:	C(C[5]C[5,5a]C[5,6a])(CH3)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)	H(CC[5]CH)	C(C[5]C[5,5a]C[5,6a])(CH3)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	H(CC[5]CH)	109.2255	0.033	2	109.2255	0.001	2	109.2255	0.001	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6]2)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])2(CCHH)	H(CC[5]CH)	C(C[5]C[5,6]2)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|O<1>,4|C<3>}	H(CC[5]CH)	109.3760	0.014	2	109.3760	0.000	2	109.5301	0.026	12	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6]2)(CHHP)(H)2	C[5](C[5,6]C[5,6]C[6])2(CCHH)	H(CC[5]CH)	C(C[5]C[5,6]2)(CHHP)(H)2	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|C<3>,2|H<1>,2|N<3>}	H(CC[5]CH)	109.5609	0.158	10	109.5609	0.025	10	109.5301	0.026	12	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(CH3)(H)2	C[5](C[5,6]C[5,6]P[6])(C[5]P[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6]C[5])(CH3)(H)2	C[5](C[5,6]C[5,6]P[6])(C[5]P[5]C)(CCHH){1|C<4>,1|S<1>,2|C<3>}	H(CC[5]CH)	109.7410	1.656	2	109.7410	2.742	2	109.7410	2.742	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6]N[5])(CCCH)(H)2	C[5](C[5,6]C[6,6a]N[5,6])(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6]N[5])(CCCH)(H)2	C[5](C[5,6]C[6,6a]N[5,6])(N[5]C[5]H)(CCHH){1|C<4>,3|C<3>}	H(CC[5]CH)	108.7490	0.033	2	108.7490	0.001	2	108.7490	0.001	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH){5|C<3>}	H(CC[5]CH)	108.9130	0.125	4	108.9130	0.016	4	108.7242	0.120	8	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH){5|C<3>}	H(CC[5]CH)	108.5355	0.410	4	108.5355	0.168	4	108.7242	0.120	8	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[5]C[5,6a]2)(CCHH)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]2)(CCHH)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CCHH){6|C<3>}	H(CC[5]CH)	108.9325	0.524	2	108.9325	0.275	2	108.9325	0.275	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.5640	0.011	2	108.5640	0.000	2	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.1740	0.031	2	108.1740	0.001	2	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	H(CC[5]CH)	108.7355	0.026	2	108.7355	0.001	2	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	H(CC[5]CH)	108.9655	0.023	2	108.9655	0.001	2	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH){1|H<1>,1|O<1>,3|C<3>}	H(CC[5]CH)	109.3735	0.063	2	109.3735	0.004	2	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CCHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	H(CC[5]CH)	111.2255	0.462	2	111.2255	0.213	2	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]CH)	109.1702	0.469	4	109.1702	0.220	4	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|O<2>,2|H<1>,4|C<3>}	H(CC[5]CH)	109.0913	0.138	3	109.0913	0.019	3	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	H(CC[5]CH)	108.3945	0.006	2	108.3945	0.000	2	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	H(CC[5]CH)	108.8657	0.040	6	108.8657	0.002	6	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	H(CC[5]CH)	108.7070	0.011	2	108.7070	0.000	2	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5]CH)	109.3210	0.000	1	109.3210	0.000	1	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CHHP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	H(CC[5]CH)	108.3690	0.018	2	108.3690	0.000	2	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	H(CC[5]CH)	109.3200	0.000	1	109.3200	0.000	1	108.9942	0.474	33	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	H(CC[5]CH)	109.0925	0.063	2	109.0925	0.004	2	108.7692	0.089	5	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(CC[5a]C[6a]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5])(CC[5a]C[6a]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]CH)	108.5537	0.030	3	108.5537	0.001	3	108.7692	0.089	5	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]N)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]N)(CCHH){1|O<1>}	H(CC[5]CH)	109.1065	0.009	2	109.1065	0.000	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	H(CC[5]CH)	108.6239	0.395	8	108.6239	0.156	8	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	H(CC[5]CH)	108.6661	0.254	7	108.6661	0.065	7	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[4,5]C)(C[5]C[4,5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[4,5]C)(C[5]C[4,5]O)(CCHH){4|C<4>}	H(CC[5]CH)	108.8812	0.103	4	108.8812	0.011	4	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,5]C)2(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,5]C)2(CCHH){2|C<3>,2|C<4>}	H(CC[5]CH)	108.7206	0.155	14	108.7206	0.024	14	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6]N)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6]N)(C[5]C[5]H)(CCHH){3|C<3>}	H(CC[5]CH)	108.8720	0.030	2	108.8720	0.001	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CC[5]CH)	107.8930	0.066	2	107.8930	0.004	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	H(CC[5]CH)	108.5020	0.000	1	108.5020	0.000	1	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.9254	1.493	12	108.9254	2.230	12	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]Br)(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]Br)(C[5]N[5]C)(CCHH){1|C<3>}	H(CC[5]CH)	108.9205	0.018	2	108.9205	0.000	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,2|H<1>}	H(CC[5]CH)	109.1165	0.043	2	109.0108	0.015	6	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){3|H<1>}	H(CC[5]CH)	108.9580	0.112	4	109.0108	0.015	6	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){1|O<1>,2|C<4>}	H(CC[5]CH)	107.4820	0.160	2	107.4820	0.026	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>}	H(CC[5]CH)	109.1310	1.942	2	109.1310	3.770	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	108.1365	1.511	2	108.1365	2.283	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)2(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)2(CCHH){1|O<1>,2|H<1>}	H(CC[5]CH)	105.1024	7.836	2	105.1024	61.396	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	109.1559	0.423	17	109.1559	0.179	17	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]I)(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]I)(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	109.0030	0.000	1	109.0030	0.000	1	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]Si)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]Si)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.7315	0.016	2	108.7315	0.000	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH){1|S<2>,2|C<3>,2|O<1>}	H(CC[5]CH)	108.6185	0.175	4	108.6185	0.031	4	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CCHH){1|H<1>,3|C<3>}	H(CC[5]CH)	107.9680	5.554	2	107.9680	30.843	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CCHH){1|N<2>,2|C<3>}	H(CC[5]CH)	108.7960	0.004	2	108.7960	0.000	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]C)2(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]C)2(CCHH){1|Mo<6>,1|B<4>}	H(CC[5]CH)	108.8375	0.290	11	108.8375	0.084	11	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]Se[5]H)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]Se[5]H)(C[5]C[5]H)(CCHH){1|C<3>}	H(CC[5]CH)	108.9220	0.184	4	108.9220	0.034	4	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	H(CC[5]CH)	107.6630	0.047	3	107.6630	0.002	3	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	109.5345	0.009	2	109.5345	0.000	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[3]HH)(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[3]HH)(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.4945	0.005	2	108.4945	0.000	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[5]CH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]CH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	H(CC[5]CH)	109.1815	0.214	6	109.1815	0.046	6	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){2|H<1>}	H(CC[5]CH)	108.9055	0.761	4	108.9055	0.579	4	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]B[5,6,6]C[6a])(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]B[5,6,6]C[6a])(C[5]O[5]O)(CCHH){2|C<3>,2|C<4>}	H(CC[5]CH)	109.2960	0.058	2	109.2960	0.003	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	H(CC[5]CH)	108.3840	0.024	2	108.3840	0.001	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>}	H(CC[5]CH)	109.0807	0.078	3	109.0807	0.006	3	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	110.0968	1.617	4	110.0968	2.614	4	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CClHH)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CClHH)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	H(CC[5]CH)	108.9920	0.011	2	108.9920	0.000	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH){5|C<3>}	H(CC[5]CH)	109.2780	0.138	5	109.2780	0.019	5	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){1|B<3>,1|C<3>}	H(CC[5]CH)	108.9680	0.040	2	108.8670	0.014	4	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){2|C<3>}	H(CC[5]CH)	108.7660	0.025	2	108.8670	0.014	4	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH){4|C<3>}	H(CC[5]CH)	108.8355	0.021	2	108.8355	0.000	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	H(CC[5]CH)	110.2173	4.491	157	110.0785	17.482	183	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<4>}	H(CC[5]CH)	108.6845	0.039	4	110.0785	17.482	183	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Co<4>,1|O<1>}	H(CC[5]CH)	109.2535	0.019	2	110.0785	17.482	183	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Cu<4>,1|O<1>}	H(CC[5]CH)	109.1437	0.104	7	110.0785	17.482	183	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ni<4>,1|O<1>}	H(CC[5]CH)	108.9854	0.372	7	110.0785	17.482	183	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Pd<4>,1|O<1>}	H(CC[5]CH)	109.2505	0.084	4	110.0785	17.482	183	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ti<9>,1|H<1>}	H(CC[5]CH)	111.5430	0.498	2	110.0785	17.482	183	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	109.1687	0.056	6	109.1869	0.052	41	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	H(CC[5]CH)	108.9495	0.043	2	109.1869	0.052	41	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Co<4>,1|C<3>}	H(CC[5]CH)	109.4130	0.042	2	109.1869	0.052	41	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Cu<4>,1|C<3>}	H(CC[5]CH)	109.2111	0.250	7	109.1869	0.052	41	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	H(CC[5]CH)	109.1956	0.192	11	109.1869	0.052	41	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Ni<4>,1|C<3>}	H(CC[5]CH)	109.1790	0.301	8	109.1869	0.052	41	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Pd<4>,1|C<3>}	H(CC[5]CH)	108.9807	0.280	3	109.1869	0.052	41	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){3|H<1>}	H(CC[5]CH)	109.4600	0.130	2	109.1869	0.052	41	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<3>,1|C<4>,1|W<6>}	H(CC[5]CH)	108.9645	0.249	4	108.8912	0.046	19	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<4>}	H(CC[5]CH)	108.8717	0.211	15	108.8912	0.046	19	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)2(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CH)	109.1128	0.189	4	108.6309	0.087	51	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)2(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)2(CCHH){2|C<4>}	H(CC[5]CH)	108.5899	0.266	47	108.6309	0.087	51	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	H(CC[5]CH)	109.1132	0.271	6	109.1132	0.073	6	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	H(CC[5]CH)	109.1664	0.194	9	109.1664	0.038	9	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCHH){1|N<3>,2|C<3>}	H(CC[5]CH)	108.7005	0.021	2	108.7005	0.000	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	H(CC[5]CH)	108.9459	0.340	21	109.4959	5.597	25	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){3|C<3>}	H(CC[5]CH)	112.3838	5.547	4	109.4959	5.597	25	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)2(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)2(CCHH){1|Ni<6>,1|B<4>}	H(CC[5]CH)	108.9943	0.070	6	108.9439	0.014	12	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)2(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)2(CCHH){1|Sm<6>,1|B<4>}	H(CC[5]CH)	108.8935	0.142	6	108.9439	0.014	12	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5,5]H)(C[5]O[5]N)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5,5]H)(C[5]O[5]N)(CCHH){1|C<4>,1|O<2>}	H(CC[5]CH)	109.5490	0.016	2	109.5490	0.000	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5]O)(C[5]O[5]N)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5]O)(C[5]O[5]N)(CCHH){2|H<1>}	H(CC[5]CH)	109.2275	0.056	2	109.2275	0.003	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CHHP)(H)2	C[5](C[5]C[5]H)2(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CHHP)(H)2	C[5](C[5]C[5]H)2(CCHH){2|H<1>}	H(CC[5]CH)	108.3560	0.024	2	108.3560	0.001	2	109.3344	7.317	506	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CC3)(H)2	C[5](C[5]C[5]H)(N[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC3)(H)2	C[5](C[5]C[5]H)(N[5]N[5]H)(CCHH){1|Eu<13>,1|C<3>}	H(CC[5]CH)	108.0975	0.138	4	108.0975	0.019	4	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCCH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCCH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH){1|C<4>,1|S<1>}	H(CC[5]CH)	108.2575	0.008	2	108.2575	0.000	2	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]CH)	109.4400	0.119	3	109.4400	0.014	3	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]O[5]S)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]O[5]S)(CCHH){2|C<3>}	H(CC[5]CH)	109.0500	0.016	2	109.0500	0.000	2	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5a]S[5])(N[5]C[5]Re)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5a]S[5])(N[5]C[5]Re)(CCHH){1|S<2>,2|C<3>}	H(CC[5]CH)	108.9143	0.084	3	108.9143	0.007	3	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.4932	0.137	5	108.4932	0.019	5	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	109.2520	0.086	2	109.2390	0.003	4	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	109.2260	0.027	2	109.2390	0.003	4	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH){1|C<3>}	H(CC[5]CH)	109.3620	0.061	2	109.4550	0.351	6	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH){1|C<4>}	H(CC[5]CH)	109.5015	0.758	4	109.4550	0.351	6	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]Ni)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]Ni)(N[5]N[5]C)(CCHH){1|C<3>}	H(CC[5]CH)	108.6230	0.114	5	108.6230	0.013	5	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CCHH){1|C<3>}	H(CC[5]CH)	108.7778	0.434	6	108.8877	0.176	8	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CCHH){1|C<4>}	H(CC[5]CH)	109.2175	0.015	2	108.8877	0.176	8	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CCHH){1|C<3>}	H(CC[5]CH)	108.7099	0.347	12	108.7099	0.120	12	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]O[5]C)(N[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]O[5]C)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>}	H(CC[5]CH)	109.1090	0.000	1	109.1090	0.000	1	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]S[5]Br)(N[5]C[5]Re)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]S[5]Br)(N[5]C[5]Re)(CCHH){1|C<3>}	H(CC[5]CH)	108.8167	0.060	3	108.8167	0.004	3	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]Se[5]C)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]Se[5]C)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	109.0000	0.308	6	109.0000	0.095	6	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	109.4725	0.040	2	109.1905	0.107	4	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|Ir<8>,1|C<4>}	H(CC[5]CH)	108.9085	0.028	2	109.1905	0.107	4	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.9480	0.836	90	108.9480	0.699	90	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH){1|H<1>}	H(CC[5]CH)	108.4155	0.025	2	108.4155	0.001	2	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	109.0470	0.300	2	109.0470	0.090	2	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH){1|C<4>}	H(CC[5]CH)	109.1330	0.008	2	109.1330	0.000	2	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CCHH){1|C<4>}	H(CC[5]CH)	108.6979	0.345	8	108.6979	0.119	8	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]H)(N[5]N[5]B)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]H)(N[5]N[5]B)(CCHH){1|Sr<6>,1|C<4>}	H(CC[5]CH)	108.7370	0.131	12	108.7370	0.017	12	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CCHH){1|Ru<9>,1|C<4>}	H(CC[5]CH)	109.3525	0.040	2	109.3525	0.002	2	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]Se)(N[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]Se)(N[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	109.0897	0.104	3	109.0897	0.011	3	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH){1|Ni<4>,1|C<4>}	H(CC[5]CH)	108.6337	0.058	4	108.6337	0.003	4	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CCHH){1|Zn<4>,1|C<3>}	H(CC[5]CH)	109.0555	0.200	2	109.0555	0.040	2	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CCHH){1|C<4>}	H(CC[5]CH)	108.6495	0.433	2	108.6495	0.188	2	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH){2|C<3>,2|H<1>}	H(CC[5]CH)	108.6775	0.035	2	108.6775	0.001	2	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){1|Cu<5>,1|H<1>}	H(CC[5]CH)	109.3220	0.000	1	109.0910	0.934	20	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	109.0788	0.991	19	109.0910	0.934	20	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CCHH){1|C<3>}	H(CC[5]CH)	108.6225	0.036	2	108.6225	0.001	2	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CN[6]CH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CN[6]CH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.7007	1.087	32	108.7007	1.181	32	108.8813	0.542	253	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5,5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5,5]N[5])(CH3)(H)2	C[5](N[5,5]N[5,5]C[5])(N[5]C[5]Pt)(CCHH)	H(CC[5]CH)	C(C[5]N[5,5]N[5])(CH3)(H)2	C[5](N[5,5]N[5,5]C[5])(N[5]C[5]Pt)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CH)	109.1160	0.017	2	109.1160	0.000	2	109.1160	0.000	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CC3)(H)2	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC3)(H)2	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	H(CC[5]CH)	107.4762	0.544	12	107.4762	0.296	12	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CC3)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC3)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	H(CC[5]CH)	107.5995	0.681	17	107.5995	0.464	17	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH){1|C<4>,1|O<2>,2|C<3>}	H(CC[5]CH)	108.9385	0.021	2	109.1977	0.090	4	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH){2|C<3>,2|C<4>}	H(CC[5]CH)	109.4570	0.013	2	109.1977	0.090	4	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH){1|C<4>,1|O<2>}	H(CC[5]CH)	109.0633	0.114	3	109.1473	0.014	6	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH){2|C<4>}	H(CC[5]CH)	109.2313	0.028	3	109.1473	0.014	6	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]Re)(C[5]S[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]Re)(C[5]S[5]H)(CCHH){1|C<3>}	H(CC[5]CH)	109.1880	0.870	4	109.1880	0.758	4	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH){2|N<3>,3|C<3>}	H(CC[5]CH)	109.7565	0.006	2	109.7565	0.000	2	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH){1|Ir<4>,3|C<3>}	H(CC[5]CH)	108.4967	0.117	4	108.4967	0.014	4	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	109.2795	0.019	2	109.2795	0.000	2	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	107.9728	0.196	5	107.9728	0.038	5	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH){1|H<1>}	H(CC[5]CH)	109.8655	1.624	2	108.0925	3.348	8	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	107.5015	1.576	6	108.0925	3.348	8	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Mo)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Mo)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.7960	0.014	2	108.8448	0.038	6	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Mo)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Mo)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.8692	0.248	4	108.8448	0.038	6	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.5113	0.494	6	108.5113	0.244	6	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Re)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Re)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.2880	0.334	4	108.2880	0.112	4	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.8730	0.027	2	108.8730	0.001	2	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Tc)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](N[5]C[5]Tc)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.5465	0.076	2	108.5465	0.006	2	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHO)(H)2	C[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHO)(H)2	C[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.2570	0.004	2	108.2570	0.000	2	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHO)(H)2	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHO)(H)2	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	109.6075	4.112	2	109.6075	16.907	2	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CC[6a]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC[6a]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH){2|N<3>,3|C<3>}	H(CC[5]CH)	109.8000	0.000	1	109.8000	0.000	1	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	108.7425	0.040	4	108.7425	0.002	4	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](N[5]N[5]Co)(C[5]P[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](N[5]N[5]Co)(C[5]P[5]C)(CCHH){1|Si<4>}	H(CC[5]CH)	108.8473	0.366	4	108.8473	0.134	4	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](N[5]N[5]Ni)(C[5]P[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](N[5]N[5]Ni)(C[5]P[5]C)(CCHH){1|H<1>}	H(CC[5]CH)	109.1017	0.166	4	109.1017	0.028	4	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>}	H(CC[5]CH)	109.0265	0.043	2	109.0265	0.002	2	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](N[5]N[5]Sr)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](N[5]N[5]Sr)(C[5]C[5]H)(CCHH){1|B<4>,1|C<4>}	H(CC[5]CH)	108.8776	0.112	10	108.8776	0.013	10	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	107.7130	1.925	7	108.7895	1.902	26	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH){1|Cu<5>,1|H<1>}	H(CC[5]CH)	108.9083	0.173	13	108.7895	1.902	26	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	109.7882	1.461	6	108.7895	1.902	26	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.7316	1.409	50	108.7316	1.987	50	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.5235	0.019	2	108.5235	0.000	2	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	109.2018	0.052	4	109.2018	0.003	4	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Re)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Re)(C[5]N[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.1435	0.015	2	108.1435	0.000	2	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CHHP)(H)2	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHP)(H)2	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.7075	0.052	4	108.7075	0.003	4	108.5837	1.282	201	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6]H)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6]H)2(CCHH){1|C<2>,1|C<3>}	H(CC[5]CH)	108.3470	0.996	2	108.5640	0.294	5	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6]H)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6]H)2(CCHH){2|C<4>,2|H<1>}	H(CC[5]CH)	108.7087	0.122	3	108.5640	0.294	5	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	109.4160	2.771	6	109.4160	7.680	6	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.7874	0.462	7	108.7874	0.214	7	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	109.2790	0.013	2	109.2790	0.000	2	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6a]H)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6a]H)2(CCHH){2|C<3>}	H(CC[5]CH)	108.4601	0.728	44	108.4601	0.530	44	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(CCHH){2|C<3>}	H(CC[5]CH)	109.5915	0.222	4	109.5915	0.049	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	108.2970	0.000	1	109.3591	0.268	9	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	109.4919	0.353	8	109.3591	0.268	9	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(CCHH){4|H<1>}	H(CC[5]CH)	109.1190	0.000	1	109.1190	0.000	1	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Ca)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Ca)(N[5]C[5]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.9583	0.102	4	108.9583	0.010	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.8953	0.047	4	108.8953	0.002	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Co)(N[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Co)(N[5]N[5]H)(CCHH){1|C<3>}	H(CC[5]CH)	109.2656	0.250	7	109.2656	0.063	7	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]H)(CCHH){1|C<3>}	H(CC[5]CH)	109.4077	0.051	4	109.4077	0.003	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.8230	0.083	3	108.8230	0.007	3	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Fe)(N[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Fe)(N[5]N[5]H)(CCHH){1|C<3>}	H(CC[5]CH)	110.0250	0.000	1	110.0250	0.000	1	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]H)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]H)2(CCHH){2|H<1>}	H(CC[5]CH)	109.2010	0.000	1	109.2010	0.000	1	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.9973	0.068	3	108.9973	0.005	3	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Ni)(N[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]Ni)(N[5]N[5]H)(CCHH){1|C<3>}	H(CC[5]CH)	108.7993	0.263	4	108.7993	0.069	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]N[5]Cd)(N[5]C[5]N)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]N[5]Cd)(N[5]C[5]N)(CCHH){1|Cd<5>,1|C<4>}	H(CC[5]CH)	108.9082	0.091	4	108.9747	0.024	7	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]N[5]Cd)(N[5]C[5]N)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]N[5]Cd)(N[5]C[5]N)(CCHH){1|Cd<6>,1|C<4>}	H(CC[5]CH)	109.0633	0.198	3	108.9747	0.024	7	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHO)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHO)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	109.4940	0.159	4	109.4940	0.025	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]CC)(H)2	C[5](N[5]C[5]Si)(N[5]C[5]Zr)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]CC)(H)2	C[5](N[5]C[5]Si)(N[5]C[5]Zr)(CCHH){2|H<1>}	H(CC[5]CH)	109.2115	0.023	2	109.2115	0.001	2	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.2480	0.034	4	108.2480	0.001	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.5800	0.560	4	108.5800	0.313	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5,6a]H)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5,6a]H)2(CCHH){2|C<3>}	H(CC[5]CH)	109.0080	1.055	20	109.0080	1.114	20	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.4361	0.123	11	108.4361	0.015	11	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.0613	0.372	3	108.0613	0.138	3	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5]Co)(N[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5]Co)(N[5]N[5]H)(CCHH){1|C<3>}	H(CC[5]CH)	108.4990	0.038	2	108.4990	0.001	2	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5]H)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5]H)2(CCHH){4|H<1>}	H(CC[5]CH)	108.5978	0.396	9	108.5978	0.157	9	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HO)(H)2	C[5](N[5]C[5,6a]H)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HO)(H)2	C[5](N[5]C[5,6a]H)2(CCHH){2|C<3>}	H(CC[5]CH)	108.3280	0.570	2	108.3280	0.325	2	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HO)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HO)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CCHH){2|C<3>}	H(CC[5]CH)	108.7538	0.258	20	108.7538	0.066	20	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.4660	0.000	1	108.4660	0.000	1	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5,6a]C)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5,6a]C)2(CCHH){2|C<3>}	H(CC[5]CH)	109.0010	0.016	2	109.0010	0.000	2	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.8260	0.041	2	108.7078	0.083	8	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.6683	0.329	6	108.7078	0.083	8	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	H(CC[5]CH)	108.9405	0.178	4	108.9405	0.032	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]Cd)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]Cd)(N[5]C[5]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.5875	0.040	2	108.5875	0.002	2	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]H)(CCHH){2|C<3>}	H(CC[5]CH)	109.1612	0.012	4	109.1612	0.000	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.9458	0.227	4	108.9458	0.051	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.4595	0.008	2	108.4595	0.000	2	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]H)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]H)2(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	105.6123	11.504	2	108.2110	18.794	9	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]H)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]H)2(CCHH){2|C<3>}	H(CC[5]CH)	108.4920	0.023	2	108.2110	18.794	9	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]H)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]H)2(CCHH){2|H<1>}	H(CC[5]CH)	109.1380	0.101	5	108.2110	18.794	9	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.4955	0.018	2	108.7804	0.255	14	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CCHH){2|C<4>}	H(CC[5]CH)	108.8279	0.534	12	108.7804	0.255	14	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5]Cu)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5]Cu)(CCHH){1|Cu<5>,3|C<3>}	H(CC[5]CH)	108.5002	0.071	4	108.5002	0.005	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.1753	0.163	3	108.1753	0.026	3	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CCHH){2|C<3>}	H(CC[5]CH)	109.0465	0.015	2	109.0465	0.000	2	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.9582	0.388	11	108.9582	0.150	11	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.2425	0.015	2	108.2425	0.000	2	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	C[5](N[5]C[5]H)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	C[5](N[5]C[5]H)2(CCHH){2|H<1>}	H(CC[5]CH)	109.0970	0.144	4	109.0970	0.021	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CHHP)(H)2	C[5](N[5]C[5]H)(N[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHP)(H)2	C[5](N[5]C[5]H)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>}	H(CC[5]CH)	107.9583	1.085	6	107.9583	1.178	6	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CHHP)(H)2	C[5](N[5]C[5]Rh)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHP)(H)2	C[5](N[5]C[5]Rh)(N[5]C[5]C)(CCHH){2|H<1>}	H(CC[5]CH)	108.1262	0.138	4	108.1262	0.019	4	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CHHS)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHS)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.9363	4.190	6	108.9363	17.555	6	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CHHS)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHS)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.8251	0.193	8	108.8251	0.037	8	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CPtCH)(H)2	C[5](N[5]C[5]C)2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CPtCH)(H)2	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	H(CC[5]CH)	108.4290	0.010	2	108.4290	0.000	2	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CPtCH)(H)2	C[5](N[5]C[6a]C[5])2(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CPtCH)(H)2	C[5](N[5]C[6a]C[5])2(CCHH){2|H<1>,4|C<3>}	H(CC[5]CH)	108.4385	0.006	2	108.4385	0.000	2	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CRuCH)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ru)(CCHH)	H(CC[5]CH)	C(C[5]N[5]2)(CRuCH)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ru)(CCHH){1|N<2>,3|C<3>}	H(CC[5]CH)	109.3985	0.011	2	109.3985	0.000	2	108.7630	1.271	303	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	Si[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Si[5]C[5])(CH3)(H)2	C[5](Si[5]Si[5]Si)(C[5]Si[5]C)(CCHH)	H(CC[5]CH)	C(C[5]Si[5]C[5])(CH3)(H)2	C[5](Si[5]Si[5]Si)(C[5]Si[5]C)(CCHH){2|Si<4>,1|C<4>}	H(CC[5]CH)	109.3985	0.029	2	109.3985	0.001	2	109.3985	0.001	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){2|C<3>,2|H<1>}	H(CC[5]2H)	108.9335	0.006	2	108.9335	0.000	2	108.9335	0.000	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[5]C[5]2Mn)(H)2	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5])(C[5]C[5]2Mn)(H)2	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH){1|Mn<5>,1|C<4>}	H(CC[5]2H)	110.0460	0.061	2	110.0235	0.002	4	110.0235	0.002	4	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[5]C[5]2Mn)(H)2	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5])(C[5]C[5]2Mn)(H)2	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH){1|Mn<6>,1|C<4>}	H(CC[5]2H)	110.0010	0.006	2	110.0235	0.002	4	110.0235	0.002	4	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	H(CC[5]C[6]H)	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|N<3>,2|C<3>}	H(CC[5]C[6]H)	108.4355	0.013	2	108.4355	0.000	2	108.4355	0.000	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:Ga-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(GaCl2C)(H)2	C[5](N[5]C[5]C)2(CGaHH)	H(CC[5]GaH)	C(C[5]N[5]2)(GaCl2C)(H)2	C[5](N[5]C[5]C)2(CGaHH){2|H<1>}	H(CC[5]GaH)	109.3700	0.013	2	109.3700	0.000	2	109.3700	0.000	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:Ge-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(GeCl2Ge)(H)2	C[5](N[5]C[6a]C[5])2(CGeHH)	H(CC[5]GeH)	C(C[5]N[5]2)(GeCl2Ge)(H)2	C[5](N[5]C[6a]C[5])2(CGeHH){2|H<1>,4|C<3>}	H(CC[5]GeH)	107.1012	0.136	4	107.1012	0.019	4	107.8863	0.696	9	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:Ge-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(GeCl2W)(H)2	C[5](N[5]C[6a]C[5])2(CGeHH)	H(CC[5]GeH)	C(C[5]N[5]2)(GeCl2W)(H)2	C[5](N[5]C[6a]C[5])2(CGeHH){2|H<1>,4|C<3>}	H(CC[5]GeH)	107.5970	0.000	1	107.5970	0.000	1	107.8863	0.696	9	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:Ge-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(GeGeHH)(H)2	C[5](N[5]C[6a]C[5])2(CGeHH)	H(CC[5]GeH)	C(C[5]N[5]2)(GeGeHH)(H)2	C[5](N[5]C[6a]C[5])2(CGeHH){2|H<1>,4|C<3>}	H(CC[5]GeH)	108.6810	0.018	2	108.6810	0.000	2	107.8863	0.696	9	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:Ge-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(GeHHW)(H)2	C[5](N[5]C[6a]C[5])2(CGeHH)	H(CC[5]GeH)	C(C[5]N[5]2)(GeHHW)(H)2	C[5](N[5]C[6a]C[5])2(CGeHH){2|H<1>,4|C<3>}	H(CC[5]GeH)	108.8065	0.066	2	108.8065	0.004	2	107.8863	0.696	9	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(NC3)(H)2	C[5](C[5]C[5]H)2(CHHN)	H(CC[5]HN)	C(C[5]C[5]2)(NC3)(H)2	C[5](C[5]C[5]H)2(CHHN){2|H<1>}	H(CC[5]HN)	109.3600	0.000	2	109.3600	0.000	2	109.3600	0.000	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN){1|Cu<5>,1|C<4>}	H(CC[5]HN)	108.7558	0.110	4	108.5622	0.097	6	108.5622	0.097	6	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN){2|H<1>}	H(CC[5]HN)	108.1750	0.030	2	108.5622	0.097	6	108.5622	0.097	6	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN){1|Co<5>,1|C<4>}	H(CC[5]HN)	109.7286	0.273	8	109.7159	0.069	12	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN){2|H<1>}	H(CC[5]HN)	109.6905	0.276	4	109.7159	0.069	12	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN){1|C<3>}	H(CC[5]HN)	110.0322	0.219	5	110.0894	0.100	25	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN){1|C<4>}	H(CC[5]HN)	110.1037	0.340	20	110.0894	0.100	25	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN){1|C<4>,1|H<1>}	H(CC[5]HN)	110.5465	0.104	4	110.4523	0.028	6	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	110.2640	0.006	2	110.4523	0.028	6	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHHN){1|C<3>,1|C<4>}	H(CC[5]HN)	109.4017	0.265	4	109.4017	0.070	4	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHHN){1|C<4>,1|H<1>}	H(CC[5]HN)	109.8125	0.145	4	111.0415	3.721	6	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHHN){1|Cu<5>,1|H<1>}	H(CC[5]HN)	113.4995	0.647	2	111.0415	3.721	6	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]N[5]Cu)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]N[5]Cu)(C[5]N[5]H)(CHHN){1|C<4>}	H(CC[5]HN)	110.1560	0.167	6	110.1560	0.028	6	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NCuCH)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCuCH)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHHN){1|Pd<4>,1|H<1>}	H(CC[5]HN)	109.9207	0.187	4	109.9207	0.035	4	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN){1|C<3>,1|C<4>}	H(CC[5]HN)	109.8638	0.300	17	109.9315	0.093	21	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN){2|H<1>}	H(CC[5]HN)	110.2193	0.063	4	109.9315	0.093	21	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHN){1|Fe<6>,1|C<4>}	H(CC[5]HN)	110.1595	0.021	2	110.1595	0.000	2	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHN){1|C<3>}	H(CC[5]HN)	110.3255	0.022	2	109.6570	0.132	20	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHN){1|C<4>}	H(CC[5]HN)	109.5827	0.299	18	109.6570	0.132	20	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NLiCC)(H)2	C[5](N[5]N[5]Li)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NLiCC)(H)2	C[5](N[5]N[5]Li)(C[5]N[5]H)(CHHN){1|C<4>}	H(CC[5]HN)	109.1510	0.018	2	109.1510	0.000	2	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHHN){1|C<4>,1|H<1>}	H(CC[5]HN)	109.7781	0.125	7	109.7781	0.016	7	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CHHN){1|Mn<8>,1|C<4>}	H(CC[5]HN)	109.7055	0.047	4	109.7055	0.002	4	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](N[5]N[5]Mn)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](N[5]N[5]Mn)(C[5]N[5]H)(CHHN){1|C<3>}	H(CC[5]HN)	109.6220	0.028	2	109.6220	0.001	2	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NNiCC)(H)2	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NNiCC)(H)2	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CHHN){1|C<4>}	H(CC[5]HN)	109.9003	0.040	3	109.9003	0.002	3	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NNiCH)(H)2	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NNiCH)(H)2	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHHN){2|H<1>}	H(CC[5]HN)	109.4290	0.031	2	109.4290	0.001	2	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NReCC)(H)2	C[5](N[5]N[5]Re)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NReCC)(H)2	C[5](N[5]N[5]Re)(C[5]N[5]H)(CHHN){1|C<4>}	H(CC[5]HN)	109.7460	0.010	2	109.7460	0.000	2	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NRuCC)(H)2	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NRuCC)(H)2	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CHHN){1|C<3>,1|H<1>}	H(CC[5]HN)	110.0732	1.203	6	110.0732	1.446	6	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NRuCC)(H)2	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NRuCC)(H)2	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHN){1|C<4>}	H(CC[5]HN)	110.0498	0.327	6	110.0498	0.107	6	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NZnCC)(H)2	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NZnCC)(H)2	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN){1|C<3>}	H(CC[5]HN)	109.9442	0.095	4	109.7276	0.126	8	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(NZnCC)(H)2	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NZnCC)(H)2	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN){1|C<4>}	H(CC[5]HN)	109.5110	0.400	4	109.7276	0.126	8	109.9288	0.351	148	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCHH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCHH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.5460	0.042	2	109.5460	0.002	2	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCHH)(H)2	C[5](N[5]C[5,6a]H)2(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCHH)(H)2	C[5](N[5]C[5,6a]H)2(CHHN){2|C<3>}	H(CC[5]HN)	109.3030	0.011	2	109.3030	0.000	2	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCHH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCHH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	109.0030	0.884	2	109.0030	0.781	2	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NC[5]CuH)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[5]CuH)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	110.3735	0.016	2	110.3735	0.000	2	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NC[6]MnC)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6]MnC)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	109.9120	0.038	4	109.9120	0.001	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NC[6]ZnC)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6]ZnC)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	109.4700	0.088	4	109.4700	0.008	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCdCC)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCdCC)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	109.5251	0.213	12	109.5251	0.046	12	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCdCC)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCdCC)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.4920	0.021	2	109.4920	0.000	2	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCoCC)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCoCC)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	110.2867	0.085	3	110.2867	0.007	3	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCoCC)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCoCC)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	109.9985	0.126	4	109.9985	0.016	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCoCH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCoCH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	110.0640	0.377	4	110.0640	0.142	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCrCC)(H)2	C[5](N[5]C[5,6a]Cr)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCrCC)(H)2	C[5](N[5]C[5,6a]Cr)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.8465	0.446	12	109.8465	0.199	12	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCuCC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCuCC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	108.1535	3.433	4	108.1535	11.787	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCuCC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCuCC)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	110.0650	0.255	4	110.0650	0.065	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCuCC)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCuCC)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	110.0984	0.406	8	110.0984	0.165	8	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCuCC)(H)2	C[5](N[5]N[5]Cu)(N[5]N[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCuCC)(H)2	C[5](N[5]N[5]Cu)(N[5]N[5]C)(CHHN)	H(CC[5]HN)	110.4093	0.107	4	110.4093	0.011	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCuCH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCuCH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.6862	0.582	6	109.6862	0.339	6	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCuCH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCuCH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHN){2|H<1>}	H(CC[5]HN)	108.0215	0.981	4	108.0215	0.962	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCuCH)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCuCH)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	110.7057	1.935	4	110.7057	3.746	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NCuHH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NCuHH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	110.0405	0.005	2	110.0405	0.000	2	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NEuCC)(H)2	C[5](N[5]C[5,6a]Eu)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NEuCC)(H)2	C[5](N[5]C[5,6a]Eu)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.6890	0.041	2	109.6890	0.002	2	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NFeCC)(H)2	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NFeCC)(H)2	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	109.9197	0.253	26	109.9197	0.064	26	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NFeCC)(H)2	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NFeCC)(H)2	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.9366	0.219	14	109.9366	0.048	14	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NFeCC)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NFeCC)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CC[5]HN)	108.9423	0.953	6	109.6669	0.648	28	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NFeCC)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NFeCC)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	109.8645	0.653	22	109.6669	0.648	28	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NFeCH)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NFeCH)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	110.7440	0.020	2	110.7440	0.000	2	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NFeCH)(H)2	C[5](N[5]N[5a]C[5])(N[5]N[5]Fe)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NFeCH)(H)2	C[5](N[5]N[5a]C[5])(N[5]N[5]Fe)(CHHN){1|Fe<6>,1|C<4>,2|C<3>}	H(CC[5]HN)	109.7777	0.068	3	109.7777	0.005	3	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NH3)(H)2	C[5](N[5]C[5,6a]H)2(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NH3)(H)2	C[5](N[5]C[5,6a]H)2(CHHN){2|C<3>}	H(CC[5]HN)	109.4922	1.519	4	109.4922	2.307	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NLiCC)(H)2	C[5](N[5]C[5]O)2(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NLiCC)(H)2	C[5](N[5]C[5]O)2(CHHN){1|C<3>,3|C<4>}	H(CC[5]HN)	105.8365	4.402	2	106.9320	4.751	6	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NLiCC)(H)2	C[5](N[5]C[5]O)2(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NLiCC)(H)2	C[5](N[5]C[5]O)2(CHHN){4|C<4>}	H(CC[5]HN)	107.4797	0.510	4	106.9320	4.751	6	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NMnCC)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NMnCC)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	109.3338	0.754	4	109.3338	0.568	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NMnCC)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NMnCC)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.7017	0.325	17	109.7017	0.106	17	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NMnCC)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NMnCC)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	110.0151	0.510	8	110.0151	0.260	8	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NMnCH)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NMnCH)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.6947	0.264	13	109.6947	0.070	13	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NMoCC)(H)2	C[5](N[5]C[5,6a]Mo)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NMoCC)(H)2	C[5](N[5]C[5,6a]Mo)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	110.0645	0.063	2	110.0645	0.004	2	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NNiCC)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NNiCC)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	109.9222	0.410	5	109.9222	0.168	5	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NNiCC)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NNiCC)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.8046	0.376	17	109.8046	0.141	17	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NNiCC)(H)2	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NNiCC)(H)2	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	110.4120	0.435	8	110.4120	0.189	8	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NNiCH)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NNiCH)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	109.5853	0.417	11	109.5853	0.174	11	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NNiCH)(H)2	C[5](N[5]C[5]Ni)(N[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NNiCH)(H)2	C[5](N[5]C[5]Ni)(N[5]C[5]H)(CHHN){2|H<1>}	H(CC[5]HN)	110.0516	0.200	5	110.0516	0.040	5	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NNiHH)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NNiHH)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.1472	2.000	4	109.1472	4.002	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NReCH)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NReCH)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(CHHN){2|C<3>}	H(CC[5]HN)	109.8840	0.202	4	109.8840	0.041	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NZnCC)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NZnCC)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	109.5451	0.458	7	109.5451	0.209	7	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NZnCC)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NZnCC)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	110.0048	0.132	4	110.0048	0.017	4	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NZnCH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]N[5]2)(NZnCH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	110.0575	0.064	2	110.0575	0.004	2	109.7168	0.796	285	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	O[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5])(NRuCH)(H)2	C[5](O[5]C[5]Ru)(C[5]C[5]H)(CHHN)	H(CC[5]HN)	C(C[5]C[5]O[5])(NRuCH)(H)2	C[5](O[5]C[5]Ru)(C[5]C[5]H)(CHHN){2|H<1>}	H(CC[5]HN)	110.0760	0.007	2	110.0760	0.000	2	110.0760	0.000	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:O-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OCo3)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OCo3)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHO){2|C<3>}	H(CC[5]HO)	109.9902	0.219	6	109.9902	0.048	6	110.0577	0.033	12	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:O-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(OFe3)(H)2	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHO)	H(CC[5]HO)	C(C[5]N[5]2)(OFe3)(H)2	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHO){2|C<3>}	H(CC[5]HO)	110.1253	0.118	6	110.1253	0.014	6	110.0577	0.033	12	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(PPdCC)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PPdCC)(H)2	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHP){1|C<4>}	H(CC[5]HP)	111.2790	0.008	2	111.2790	0.000	2	111.2790	0.000	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(PC[6]2Pt)(H)2	C[5](N[5]N[5]Pt)(C[5]N[5]H)(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6]2Pt)(H)2	C[5](N[5]N[5]Pt)(C[5]N[5]H)(CHHP){1|C<4>}	H(CC[5]HP)	110.3928	0.244	4	110.3928	0.060	4	110.3772	0.442	71	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2Pd)(H)2	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2Pd)(H)2	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CHHP){1|Ir<6>,1|C<3>}	H(CC[5]HP)	109.8325	0.333	2	109.8325	0.111	2	110.3772	0.442	71	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2Pd)(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2Pd)(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHP){1|C<4>}	H(CC[5]HP)	109.9975	0.042	2	109.9975	0.002	2	110.3772	0.442	71	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<4>,1|C<3>}	H(CC[5]HP)	110.6577	0.414	4	110.4571	0.484	56	110.3772	0.442	71	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<4>,1|C<4>}	H(CC[5]HP)	110.5748	0.774	28	110.4571	0.484	56	110.3772	0.442	71	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<5>,1|C<4>}	H(CC[5]HP)	110.2862	0.615	24	110.4571	0.484	56	110.3772	0.442	71	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2Ti)(H)2	C[5](N[5]C[5]Ti)(C[5]C[5]H)(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2Ti)(H)2	C[5](N[5]C[5]Ti)(C[5]C[5]H)(CHHP){3|H<1>}	H(CC[5]HP)	110.4620	0.018	2	110.4620	0.000	2	110.3772	0.442	71	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(PO3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PO3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CHHP){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(CC[5]HP)	108.9020	0.000	1	108.9020	0.000	1	110.3772	0.442	71	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(PPdCC)(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PPdCC)(H)2	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHP){1|C<4>}	H(CC[5]HP)	110.0328	0.208	4	110.0328	0.043	4	110.3772	0.442	71	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(PC[6]2Ru)(H)2	C[5](N[5]C[5]Ru)(N[5]C[5]C)(CHHP)	H(CC[5]HP)	C(C[5]N[5]2)(PC[6]2Ru)(H)2	C[5](N[5]C[5]Ru)(N[5]C[5]C)(CHHP){2|H<1>}	H(CC[5]HP)	109.9065	0.019	4	109.9065	0.000	4	110.1507	0.143	6	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(PRhCC)(H)2	C[5](N[5]C[5]Rh)(N[5]C[5]C)(CHHP)	H(CC[5]HP)	C(C[5]N[5]2)(PRhCC)(H)2	C[5](N[5]C[5]Rh)(N[5]C[5]C)(CHHP){2|H<1>}	H(CC[5]HP)	110.6390	0.013	2	110.6390	0.000	2	110.1507	0.143	6	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:Si-4:H-1:H-1:	C[5,5a]-3:C[5,6]-3:C-4:	C-4:	C(C[5]C[5,5a]C[5,6])(SiC3)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH)	H(CC[5]SiH)	C(C[5]C[5,5a]C[5,6])(SiC3)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH){2|C<3>,2|C<4>,4|H<1>}	H(CC[5]SiH)	108.1740	0.011	2	108.1740	0.000	2	108.1740	0.000	2	109.2356	2.796	1891	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-3:C[5,6]-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6])(CH3)(H)2	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5,6])(CH3)(H)2	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(CC[5]CH)	108.6100	0.013	2	108.6100	0.000	2	108.6100	0.000	2	108.4168	1.363	23	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]CH)	106.3825	3.847	2	106.3825	14.802	2	107.9962	1.801	13	108.4168	1.363	23	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH){1|C<3>,1|C<4>,2|O<1>}	H(CC[5]CH)	108.9840	0.000	1	108.9840	0.000	1	107.9962	1.801	13	108.4168	1.363	23	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5,5])(C[5]C[5]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	H(CC[5]CH)	108.2322	0.154	4	108.2322	0.024	4	107.9962	1.801	13	108.4168	1.363	23	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]CH)	108.2695	0.011	2	108.2695	0.000	2	107.9962	1.801	13	108.4168	1.363	23	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	H(CC[5]CH)	108.1835	0.116	4	108.1835	0.013	4	107.9962	1.801	13	108.4168	1.363	23	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH){1|O<1>,2|C<3>}	H(CC[5]CH)	108.5975	0.090	2	108.5975	0.008	2	109.0740	0.551	6	108.4168	1.363	23	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(CC[5]CH)	109.9030	0.819	2	109.9030	0.670	2	109.0740	0.551	6	108.4168	1.363	23	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCHH){2|C<3>,4|H<1>}	H(CC[5]CH)	108.7215	0.015	2	108.7215	0.000	2	109.0740	0.551	6	108.4168	1.363	23	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	3:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:Si[5]-4:C-4:	C-4:	C(C[5]Si[5]C[5])(CCHH)(H)2	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCHH)	H(CC[5]CH)	C(C[5]Si[5]C[5])(CCHH)(H)2	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCHH){1|Si<4>,3|C<3>}	H(CC[5]CH)	108.9855	0.008	2	108.9855	0.000	2	108.9855	0.000	2	108.4168	1.363	23	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]N[5])(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5])(CCHH){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CH)	108.5760	0.006	2	108.5760	0.000	2	108.6887	0.017	4	108.8268	0.151	13	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5]N[5])(CH3)(H)2	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]N[5])(CH3)(H)2	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]CH)	108.8015	0.009	2	108.8015	0.000	2	108.6887	0.017	4	108.8268	0.151	13	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(CCCH)(H)2	C[5](C[5]C[5]2O)(N[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCCH)(H)2	C[5](C[5]C[5]2O)(N[5]N[5])(CCHH){1|O<1>,1|O<2>,3|C<3>}	H(CC[5]CH)	108.3227	0.015	3	108.3227	0.000	3	108.5768	0.121	5	108.8268	0.151	13	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:2:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5,5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5,5])(CCHH){1|H<1>,3|C<3>}	H(CC[5]CH)	108.9580	0.006	2	108.9580	0.000	2	108.5768	0.121	5	108.8268	0.151	13	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:2:4:	4:	C[5]-3:N-4:H-1:H-1:	C[5]-4:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(NH3)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]C[5]S[5])(NH3)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN){2|H<1>}	H(CC[5]HN)	109.4075	0.046	2	109.2775	0.023	4	109.2775	0.023	4	108.8268	0.151	13	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:2:4:	4:	C[5]-3:N-4:H-1:H-1:	C[5]-4:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5])(NH3)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]C[5]S[5])(NH3)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN){4|H<1>}	H(CC[5]HN)	109.1475	0.009	2	109.2775	0.023	4	109.2775	0.023	4	108.8268	0.151	13	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(C[5]B[5]C[5])(CC[6a]HH)(H)2	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH)	H(CC[5]CH)	C(C[5]B[5]C[5])(CC[6a]HH)(H)2	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH){1|N<2>,6|C<3>}	H(CC[5]CH)	107.9260	0.000	1	107.9260	0.000	1	109.0660	0.298	9	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(C[5]B[5]C[5])(CHHP)(H)2	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH)	H(CC[5]CH)	C(C[5]B[5]C[5])(CHHP)(H)2	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH){1|N<2>,6|C<3>}	H(CC[5]CH)	109.0410	0.000	1	109.0410	0.000	1	109.0660	0.298	9	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(C[5]B[5]C[5])(CHHP)(H)2	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH)	H(CC[5]CH)	C(C[5]B[5]C[5])(CHHP)(H)2	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH){1|O<1>,6|C<3>}	H(CC[5]CH)	109.0620	0.449	4	109.2324	0.148	7	109.0660	0.298	9	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(C[5]B[5]C[5])(CHHP)(H)2	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH)	H(CC[5]CH)	C(C[5]B[5]C[5])(CHHP)(H)2	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH){1|O<2>,6|C<3>}	H(CC[5]CH)	109.4597	0.076	3	109.2324	0.148	7	109.0660	0.298	9	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[4,5]C[5])(CCHH)(H)2	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[4,5]C[5])(CCHH)(H)2	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,3|C<4>}	H(CC[5]CH)	107.9853	0.055	4	107.9853	0.003	4	107.9853	0.003	4	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6]C[5])(CH3)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]B[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5])(CH3)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]B[5]C)(CCHH){1|B<3>,2|C<3>,3|C<4>}	H(CC[5]CH)	109.1590	0.030	2	109.1590	0.001	2	109.1590	0.001	2	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH){2|C<3>,3|C<4>}	H(CC[5]CH)	108.7098	0.514	30	108.7098	0.264	30	108.9173	0.274	62	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]CH)	108.8533	0.111	6	109.2946	0.163	14	108.9173	0.274	62	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	109.6255	0.046	8	109.2946	0.163	14	108.9173	0.274	62	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	H(CC[5]CH)	108.3590	0.006	2	108.3590	0.000	2	108.9173	0.274	62	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(CC[5]CH)	110.0560	0.007	2	110.0560	0.000	2	108.9173	0.274	62	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(CC[5]CH)	108.5390	0.054	2	108.5390	0.003	2	108.9173	0.274	62	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[5]CH)	108.9783	0.097	8	108.9783	0.009	8	108.9173	0.274	62	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH){1|C<4>,6|C<3>}	H(CC[5]CH)	108.9300	0.104	4	108.9300	0.011	4	108.9173	0.274	62	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(CC[5]CH)	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6]C[5x3,6x5,20x6]C[6]2)(C[5]C[5x3,6x5,20x6]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6]C[5x3,6x5,20x6]C[6]2)(C[5]C[5x3,6x5,20x6]H)(CCHH){2|C<3>,2|H<1>,6|B<6>}	H(CC[5]CH)	108.2800	0.128	4	108.2800	0.016	4	108.4628	0.090	6	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.8285	0.009	2	108.8285	0.000	2	108.4628	0.090	6	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5,6]N[5])(CH3)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6]N[5])(CH3)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]N[5]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5]CH)	108.5730	0.021	2	108.5730	0.000	2	108.5730	0.000	2	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC3)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC3)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]CH)	109.6340	0.979	2	109.6340	0.958	2	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]CH)	108.0178	0.547	4	108.0178	0.299	4	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|O<1>,2|H<1>}	H(CC[5]CH)	108.0383	0.094	4	108.0383	0.009	4	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Br)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Br)(CCHH){4|C<3>}	H(CC[5]CH)	108.8390	0.018	2	108.8390	0.000	2	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCHH){4|H<1>}	H(CC[5]CH)	108.6413	0.011	3	108.6413	0.000	3	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.1080	0.017	2	108.1080	0.000	2	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]CH)	107.4695	3.399	2	107.4695	11.554	2	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){1|O<1>}	H(CC[5]CH)	108.3525	0.012	2	108.7006	0.166	5	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){2|H<1>}	H(CC[5]CH)	108.9327	0.361	3	108.7006	0.166	5	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CH)	109.0607	0.219	4	108.9079	0.085	10	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<2>,3|H<1>}	H(CC[5]CH)	109.0320	0.000	1	108.9079	0.085	10	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	H(CC[5]CH)	108.7608	0.318	5	108.9079	0.085	10	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	H(CC[5]CH)	108.2395	0.066	4	108.2395	0.004	4	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]FeH)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]FeH)(C[5]C[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.8525	0.070	2	108.8525	0.005	2	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.9107	0.110	3	108.9107	0.012	3	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]RuH)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]RuH)(C[5]C[5]H)(CCHH){2|H<1>}	H(CC[5]CH)	108.6762	0.031	4	108.6762	0.001	4	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6]CH)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]CH)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|O<2>,4|H<1>}	H(CC[5]CH)	109.8475	0.004	4	109.8475	0.000	4	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCHH){1|O<2>,3|H<1>}	H(CC[5]CH)	108.5265	0.032	2	108.5265	0.001	2	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCHH){1|O<1>}	H(CC[5]CH)	109.1753	0.416	6	109.1753	0.173	6	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH){1|O<1>}	H(CC[5]CH)	109.3820	0.187	4	109.3820	0.035	4	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH){2|C<3>}	H(CC[5]CH)	108.7710	0.052	2	108.7710	0.003	2	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6a]HN)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HN)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH){1|C<3>,1|O<1>}	H(CC[5]CH)	108.5895	0.008	2	108.5895	0.000	2	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6a]HO)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HO)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH){2|H<1>,2|O<1>}	H(CC[5]CH)	109.4900	0.000	1	109.4900	0.000	1	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH){2|C<3>}	H(CC[5]CH)	108.6800	0.018	2	108.6800	0.000	2	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CH)	108.9735	0.009	2	108.7617	0.143	6	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	109.0350	0.037	2	108.7617	0.143	6	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	H(CC[5]CH)	108.2765	0.070	2	108.7617	0.143	6	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CH)	109.4950	0.014	2	109.4950	0.000	2	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH){1|S<4>,2|H<1>}	H(CC[5]CH)	108.3517	0.017	3	108.3517	0.000	3	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH){2|C<3>,2|C<4>}	H(CC[5]CH)	108.6363	0.257	4	108.6363	0.066	4	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(CCHH){1|S<4>,2|H<1>}	H(CC[5]CH)	108.4645	0.088	2	108.4645	0.008	2	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CHHN)(H)2	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CHHN)(H)2	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CCHH){2|C<4>}	H(CC[5]CH)	108.7126	0.226	14	108.7126	0.051	14	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH){6|C<3>}	H(CC[5]CH)	108.6955	0.028	2	108.6955	0.001	2	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CHHS)(H)2	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2)(CHHS)(H)2	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CCHH){2|C<4>}	H(CC[5]CH)	108.3923	0.128	3	108.3923	0.016	3	108.7373	0.374	106	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	H(CC[5]CH)	108.7400	0.348	8	108.7400	0.121	8	108.6361	0.262	17	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]C[5]CC)(N[5]N[5]Pd)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]C[5]CC)(N[5]N[5]Pd)(CCHH){1|C<4>}	H(CC[5]CH)	108.4349	0.683	7	108.4349	0.467	7	108.6361	0.262	17	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH){1|H<1>,3|C<4>}	H(CC[5]CH)	108.9250	0.031	2	108.9250	0.001	2	108.6361	0.262	17	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(CCHH)(H)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]P[5])(CCHH)(H)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCHH){4|C<3>}	H(CC[5]CH)	108.1295	0.046	2	108.1295	0.002	2	109.1427	1.932	11	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(CCHH)(H)2	C[5](P[5]C[6a]2C[5])(C[5]B[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]P[5])(CCHH)(H)2	C[5](P[5]C[6a]2C[5])(C[5]B[5]H)(CCHH){7|C<3>}	H(CC[5]CH)	108.4713	0.482	3	108.4713	0.233	3	109.1427	1.932	11	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(CH3)(H)2	C[5](P[5]C[5,6]CS)(C[5]C[5,6]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]P[5])(CH3)(H)2	C[5](P[5]C[5,6]CS)(C[5]C[5,6]C)(CCHH){1|C<3>,1|P<2>}	H(CC[5]CH)	111.8010	0.847	2	111.8010	0.718	2	109.1427	1.932	11	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(CH3)(H)2	C[5](P[5]C[5]CW)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]P[5])(CH3)(H)2	C[5](P[5]C[5]CW)(C[5]C[5]C)(CCHH){2|C<4>}	H(CC[5]CH)	108.8238	0.248	4	108.8238	0.062	4	109.1427	1.932	11	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]S[5])(CCHH)(H)2	C[5](S[5]C[5]OO)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CCHH)(H)2	C[5](S[5]C[5]OO)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.7587	0.028	3	108.7587	0.001	3	108.8818	0.019	6	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]S[5])(CH3)(H)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CH3)(H)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CCHH){2|C<3>}	H(CC[5]CH)	109.0050	0.018	3	109.0050	0.000	3	108.8818	0.019	6	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C-4:H-1:H-1:	Si[5]-4:C[5]-3:C-4:	C-4:	C(C[5]Si[5]C[5])(CH3)(H)2	C[5](Si[5]Si[5]SiC)(C[5]Si[5]C)(CCHH)	H(CC[5]CH)	C(C[5]Si[5]C[5])(CH3)(H)2	C[5](Si[5]Si[5]SiC)(C[5]Si[5]C)(CCHH){2|Si<4>}	H(CC[5]CH)	108.5605	0.047	2	108.5605	0.002	2	108.5605	0.002	2	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH){2|C<4>,2|H<1>,3|O<2>}	H(CC[5]2H)	108.0482	0.017	4	108.0482	0.000	4	108.0482	0.000	4	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:S-4:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5,5]N[5])(SC[6a]OO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)	H(CC[5]HS)	C(C[5]C[5,5]N[5])(SC[6a]OO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS){1|C<4>,1|O<2>,3|H<1>}	H(CC[5]HS)	108.8365	0.004	2	108.8365	0.000	2	108.8365	0.000	2	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:S-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(SC[6a]OO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CHHS)	H(CC[5]HS)	C(C[5]C[5]2)(SC[6a]OO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CHHS){2|C<3>}	H(CC[5]HS)	109.6510	0.040	2	109.6510	0.002	2	109.6510	0.002	2	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:1:1:	4:3:4:	4:	C[5]-3:Si-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(SiC3)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CSiHH)	H(CC[5]SiH)	C(C[5]C[5]2)(SiC3)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CSiHH){1|C<4>,1|N<4>,1|O<1>,2|C<3>}	H(CC[5]SiH)	107.5850	0.016	2	107.5850	0.000	2	107.5850	0.000	2	108.7798	0.407	238	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	2:2:4:	4:	C[5]-3:C-4:S-2:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	C[5](N[5]C[5])(O[5]C[5])(CCHS)	H(CC[5]CS)	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	C[5](N[5]C[5])(O[5]C[5])(CCHS){2|C<4>,2|H<1>}	H(CC[5]CS)	108.8470	0.000	1	108.8470	0.000	1	108.8470	0.000	1	108.8470	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:2:4:	4:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]N[5]2)(CCHO)(OH)(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCHO)	H(CC[5]CO)	C(C[5]N[5]2)(CCHO)(OH)(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCHO){1|H<1>,1|S<1>}	H(CC[5]CO)	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	108.7413	0.677	3	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:2:4:	4:	C[5]-3:C-4:O-2:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CC3)(OP)(H)	C[5](N[5]C[5]Ir)(O[5]C[5])(CCHO)	H(CC[5]CO)	C(C[5]N[5]O[5])(CC3)(OP)(H)	C[5](N[5]C[5]Ir)(O[5]C[5])(CCHO){1|C<4>,3|H<1>}	H(CC[5]CO)	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	108.7413	0.677	3	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:2:4:	4:	C[5]-3:C-4:O-2:H-1:	N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]N[5]S[5])(CCHH)(OH)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)	H(CC[5]CO)	C(C[5]N[5]S[5])(CCHH)(OH)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO){2|C<4>}	H(CC[5]CO)	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	108.7413	0.677	3	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:3:4:	4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(OC)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)	H(CC[5]CO)	C(C[5]C[5]2)(CCHH)(OC)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	H(CC[5]CO)	108.1440	0.427	2	108.1440	0.182	2	108.3167	0.404	4	108.1976	2.615	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:3:4:	4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(OH)(H)	C[5](C[5]C[3,5]C[5])(C[5]O[5]O)(CCHO)	H(CC[5]CO)	C(C[5]C[5]2)(CCHH)(OH)(H)	C[5](C[5]C[3,5]C[5])(C[5]O[5]O)(CCHO){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CO)	107.8150	0.000	1	107.8150	0.000	1	108.3167	0.404	4	108.1976	2.615	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:3:4:	4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(OH)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]O)(CCHO)	H(CC[5]CO)	C(C[5]C[5]2)(CH3)(OH)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]O)(CCHO){1|C<3>,1|C<4>}	H(CC[5]CO)	109.1640	0.000	1	109.1640	0.000	1	108.3167	0.404	4	108.1976	2.615	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:3:4:	4:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHH)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO)	H(CC[5]CO)	C(C[5]N[5]2)(CCHH)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	H(CC[5]CO)	106.0480	0.000	1	106.0480	0.000	1	108.1578	3.449	12	108.1976	2.615	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:3:4:	4:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHO)(OH)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHO)	H(CC[5]CO)	C(C[5]N[5]2)(CCHO)(OH)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHO){2|C<3>}	H(CC[5]CO)	109.1080	0.000	1	109.1080	0.000	1	108.1578	3.449	12	108.1976	2.615	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:3:4:	4:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CCHO)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO)	H(CC[5]CO)	C(C[5]N[5]2)(CCHO)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	H(CC[5]CO)	106.1560	0.000	1	106.1560	0.000	1	108.1578	3.449	12	108.1976	2.615	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:3:4:	4:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HH)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO)	H(CC[5]CO)	C(C[5]N[5]2)(CC[5]HH)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	H(CC[5]CO)	106.4660	0.000	1	106.4660	0.000	1	108.1578	3.449	12	108.1976	2.615	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:3:4:	4:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO)	H(CC[5]CO)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	H(CC[5]CO)	110.0665	1.049	4	110.0665	1.101	4	108.1578	3.449	12	108.1976	2.615	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:3:4:	4:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHO)	H(CC[5]CO)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHO){2|C<3>}	H(CC[5]CO)	106.9710	0.000	1	106.9710	0.000	1	108.1578	3.449	12	108.1976	2.615	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:3:4:	4:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HO)(ONi)(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHO)	H(CC[5]CO)	C(C[5]N[5]2)(CC[5]HO)(ONi)(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(CCHO){2|C<3>}	H(CC[5]CO)	105.7730	0.000	1	105.7730	0.000	1	108.1578	3.449	12	108.1976	2.615	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	3:3:4:	4:	C[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO)	H(CC[5]CO)	C(C[5]N[5]2)(CH3)(OH)(H)	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	H(CC[5]CO)	108.5530	0.656	2	108.5530	0.431	2	108.1578	3.449	12	108.1976	2.615	16	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	4:2:4:	4:	C[5]-3:C[5]-4:O-2:H-1:	C[5,5,6]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CC[5]HO)	H(CC[5]2O)	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CC[5]HO){1|N<3>,2|C<4>,2|H<1>}	H(CC[5]2O)	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	4:3:4:	4:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC3)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO)	H(CC[5]CO)	C(C[5]C[5]2)(CC3)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO){2|C<3>}	H(CC[5]CO)	108.2860	0.146	2	108.2860	0.021	2	108.4211	1.196	8	108.4909	1.090	9	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	4:3:4:	4:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	H(CC[5]CO)	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	H(CC[5]CO)	110.3660	0.000	1	110.3660	0.000	1	108.4211	1.196	8	108.4909	1.090	9	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	4:3:4:	4:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	H(CC[5]CO)	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	H(CC[5]CO)	107.9913	0.979	3	107.9913	0.958	3	108.4211	1.196	8	108.4909	1.090	9	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	4:3:4:	4:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO)	H(CC[5]CO)	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO){1|O<2>,3|H<1>}	H(CC[5]CO)	107.2320	0.000	1	107.2320	0.000	1	108.4211	1.196	8	108.4909	1.090	9	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	4:3:4:	4:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHO)	H(CC[5]CO)	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHO){4|H<1>}	H(CC[5]CO)	109.2250	0.000	1	109.2250	0.000	1	108.4211	1.196	8	108.4909	1.090	9	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:2:1:	4:3:4:	4:	C[5]-3:C-4:O-2:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5])(CH3)(OH)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CCHO)	H(CC[5]CO)	C(C[5]C[5]P[5])(CH3)(OH)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CCHO){6|C<3>}	H(CC[5]CO)	109.0490	0.000	1	109.0490	0.000	1	109.0490	0.000	1	108.4909	1.090	9	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	2:2:4:	4:	C[5]-3:C-4:N-3:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C[5](N[5]C[5,6])(O[5]C[5,6])(CCHN)	H(CC[5]CN)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C[5](N[5]C[5,6])(O[5]C[5,6])(CCHN){1|C<3>,1|C<4>,1|N<2>}	H(CC[5]CN)	106.6090	0.000	1	106.6090	0.000	1	107.8542	1.887	10	107.8139	1.716	11	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	2:2:4:	4:	C[5]-3:C-4:N-3:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C[5](N[5]C[5])(O[5]C[5])(CCHN)	H(CC[5]CN)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C[5](N[5]C[5])(O[5]C[5])(CCHN){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CN)	107.9963	1.683	6	107.9963	2.833	6	107.8542	1.887	10	107.8139	1.716	11	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	2:2:4:	4:	C[5]-3:C-4:N-3:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C[5](N[5]N[5])(O[5]C[5])(CCHN)	H(CC[5]CN)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C[5](N[5]N[5])(O[5]C[5])(CCHN){1|H<1>,1|S<1>}	H(CC[5]CN)	107.3110	0.000	1	107.3110	0.000	1	107.8542	1.887	10	107.8139	1.716	11	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	2:2:4:	4:	C[5]-3:C-4:N-3:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	C[5](N[5]N[5])(O[5]C[5])(CCHN)	H(CC[5]CN)	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	C[5](N[5]N[5])(O[5]C[5])(CCHN){1|H<1>,1|S<1>}	H(CC[5]CN)	107.8660	0.000	1	107.8660	0.000	1	107.8542	1.887	10	107.8139	1.716	11	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	2:2:4:	4:	C[5]-3:C-4:N-3:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CC[6]HH)(NCH)(H)	C[5](N[5]C[5])(O[5]C[5])(CCHN)	H(CC[5]CN)	C(C[5]N[5]O[5])(CC[6]HH)(NCH)(H)	C[5](N[5]C[5])(O[5]C[5])(CCHN){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CN)	108.7780	0.000	1	108.7780	0.000	1	107.8542	1.887	10	107.8139	1.716	11	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	2:2:4:	4:	C[5]-3:C[6]-4:N-3:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(C[6]C[6]2H)(NCH)(H)	C[5](N[5]C[5])(O[5]C[5])(CC[6]HN)	H(CC[5]C[6]N)	C(C[5]N[5]O[5])(C[6]C[6]2H)(NCH)(H)	C[5](N[5]C[5])(O[5]C[5])(CC[6]HN){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C[6]N)	107.4110	0.000	1	107.4110	0.000	1	107.4110	0.000	1	107.8139	1.716	11	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	3:2:4:	4:	C[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(COO)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CCHN)(COO)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCCH){2|H<1>}	H(CC[5]CC)	107.4390	0.000	1	107.4390	0.000	1	107.4390	0.000	1	106.9415	0.495	2	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	3:2:4:	4:	C[5]-3:C-4:N-3:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(CCCH)(NHP)(H)	C[5](N[5]C[5]Ir)(O[5]C[5])(CCHN)	H(CC[5]CN)	C(C[5]N[5]O[5])(CCCH)(NHP)(H)	C[5](N[5]C[5]Ir)(O[5]C[5])(CCHN){1|C<4>,3|H<1>}	H(CC[5]CN)	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	106.9415	0.495	2	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	3:3:4:	4:	C[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CH3)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CC[5]CC)	106.8550	0.000	1	106.8550	0.000	1	106.8550	0.000	1	107.7867	5.590	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	3:3:4:	4:	C[5]-3:C-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH){1|H<1>,3|C<3>}	H(CC[6a]C[5]C)	106.8422	0.668	4	106.8422	0.446	4	106.8422	0.446	4	107.7867	5.590	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:N-4:C[5]-3:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]MoH)(C[5]N[5]2)(H)	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CC[6]HN)	H(CC[5]C[6]N)	C(C[6]C[6]N[6])(NC[6a]MoH)(C[5]N[5]2)(H)	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CC[6]HN){2|H<1>}	H(CC[5]C[6]N)	112.4960	0.000	1	112.4960	0.000	1	112.4960	0.000	1	107.7867	5.590	6	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	3:4:4:	4:	C[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH){4|C<3>}	H(CC[5]CC)	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:3:1:	4:2:4:	4:	C[5]-3:C-4:C-3:H-1:	C[5,6]-4:C[5]-2:C-4:	C-4:	C(C[5]C[5,6]C[5])(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5])(CCCH){1|C<2>,1|C<3>}	H(CC[5]CC)	104.3840	0.000	1	104.3840	0.000	1	104.3840	0.000	1	104.3840	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:2:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	C[5](C[5]O[5]O)(N[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	C[5](C[5]O[5]O)(N[5]C[5])(CCCH){2|C<4>}	H(CC[5]CC)	107.4750	0.000	1	107.4750	0.000	1	107.4750	0.000	1	107.8799	0.290	12	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:2:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH){1|O<1>,2|C<4>}	H(CC[5]CC)	107.4840	0.000	1	107.4840	0.000	1	107.8530	0.272	2	107.8799	0.290	12	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:2:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5])(CH3)2(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[5]O[5])(CH3)2(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CC)	108.2220	0.000	1	108.2220	0.000	1	107.8530	0.272	2	107.8799	0.290	12	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:2:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:P[5]-2:C-4:	C-4:	C(C[5]N[5]P[5])(CH3)2(H)	C[5](N[5]N[5]Sb)(P[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]N[5]P[5])(CH3)2(H)	C[5](N[5]N[5]Sb)(P[5]C[5])(CCCH){1|Sb<4>,1|C<4>}	H(CC[5]CC)	108.0599	0.467	8	108.0599	0.218	8	108.0599	0.218	8	107.8799	0.290	12	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:2:4:	4:	C[5]-3:N-4:C-4:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5]O[5])(NRuHH)(CCCH)(H)	C[5](N[5]C[5]Ru)(O[5]C[5])(CCHN)	H(CC[5]CN)	C(C[5]N[5]O[5])(NRuHH)(CCCH)(H)	C[5](N[5]C[5]Ru)(O[5]C[5])(CCHN){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CN)	106.8990	0.000	1	106.8990	0.000	1	106.8990	0.000	1	107.8799	0.290	12	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,5]N[5])(CH3)2(H)	C[5](C[5,5]N[5,5]O[5])(N[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5,5]N[5])(CH3)2(H)	C[5](C[5,5]N[5,5]O[5])(N[5]C[5]C)(CCCH){1|H<1>,2|C<4>}	H(CC[5]CC)	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH){3|H<1>,4|C<4>}	H(CC[5]CC)	106.0130	0.468	4	106.0130	0.219	4	106.6010	0.972	6	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){3|C<4>,4|H<1>}	H(CC[5]CC)	107.6120	0.000	1	107.6120	0.000	1	106.6010	0.972	6	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){2|C<4>,5|H<1>}	H(CC[5]CC)	107.9420	0.000	1	107.9420	0.000	1	106.6010	0.972	6	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5,5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5,5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5,5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH){1|B<4>,1|O<3>,2|H<1>,3|C<3>}	H(CC[5]CC)	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|H<1>,2|C<3>}	H(CC[5]CC)	106.7750	0.000	1	106.7750	0.000	1	107.2942	0.233	9	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CC)	107.7205	0.284	2	107.7205	0.080	2	107.2942	0.233	9	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<3>,1|H<1>,2|C<3>}	H(CC[5]CC)	107.0590	0.000	1	107.2677	0.036	3	107.2942	0.233	9	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<4>,2|C<3>,2|H<1>}	H(CC[5]CC)	107.3180	0.000	1	107.2677	0.036	3	107.2942	0.233	9	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|Ru<6>,1|C<5>,1|H<1>,2|C<3>}	H(CC[5]CC)	107.4260	0.000	1	107.2677	0.036	3	107.2942	0.233	9	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH){3|C<3>}	H(CC[5]CC)	106.8580	0.560	2	106.8580	0.314	2	107.2942	0.233	9	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCCH){3|C<3>}	H(CC[5]CC)	107.9130	0.000	1	107.9130	0.000	1	107.2942	0.233	9	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CC)	107.0920	0.000	2	107.0920	0.000	2	107.0725	0.798	16	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(CF3)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CCHH)(CF3)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH){1|C<3>,1|O<1>}	H(CC[5]CC)	106.7410	0.016	2	106.7410	0.000	2	107.0725	0.798	16	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>}	H(CC[5]CC)	105.5070	0.105	2	105.5070	0.011	2	107.0725	0.798	16	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH){1|O<1>}	H(CC[5]CC)	107.5567	0.205	3	107.5567	0.042	3	107.0725	0.798	16	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH){1|O<1>}	H(CC[5]CC)	106.6550	0.000	1	106.6550	0.000	1	107.0725	0.798	16	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH){2|H<1>}	H(CC[5]CC)	108.6480	0.000	1	108.6480	0.000	1	107.0725	0.798	16	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	H(CC[5]CC)	107.1360	0.000	1	107.1360	0.000	1	107.0725	0.798	16	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]CC)	107.1105	1.698	2	107.2763	1.524	3	107.0725	0.798	16	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]CC)	107.6080	0.000	1	107.2763	1.524	3	107.0725	0.798	16	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH){1|C<3>}	H(CC[5]CC)	107.5420	0.000	1	107.5420	0.000	1	107.0725	0.798	16	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]Br)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]Br)(N[5]N[5]B)(CCCH){1|Cr<5>,1|H<1>}	H(CC[5]CC)	109.2880	0.000	1	109.2880	0.000	1	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]Br)(N[5]N[5]Cr)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]Br)(N[5]N[5]Cr)(CCCH){1|B<4>,1|H<1>}	H(CC[5]CC)	107.3985	0.755	4	107.3985	0.570	4	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CCCH){1|B<4>,1|H<1>}	H(CC[5]CC)	107.1250	0.406	2	107.1250	0.165	2	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]Br)(N[5]N[5]Mn)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]Br)(N[5]N[5]Mn)(CCCH){1|B<4>,1|H<1>}	H(CC[5]CC)	107.5145	0.194	2	107.5145	0.038	2	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Co<3>,1|C<4>}	H(CC[5]CC)	109.3015	0.530	2	108.4309	0.619	77	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Co<4>,1|C<4>}	H(CC[5]CC)	108.3452	0.626	12	108.4309	0.619	77	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<4>,1|C<4>}	H(CC[5]CC)	108.0165	0.103	2	108.4309	0.619	77	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<5>,1|C<4>}	H(CC[5]CC)	108.0046	0.491	11	108.4309	0.619	77	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<6>,1|C<4>}	H(CC[5]CC)	108.6409	0.916	21	108.4309	0.619	77	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ni<3>,1|C<4>}	H(CC[5]CC)	108.7900	0.052	2	108.4309	0.619	77	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ni<5>,1|C<3>}	H(CC[5]CC)	107.9990	0.000	1	108.4309	0.619	77	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ni<5>,1|C<4>}	H(CC[5]CC)	108.2135	1.923	2	108.4309	0.619	77	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Pd<4>,1|C<4>}	H(CC[5]CC)	108.5089	0.964	12	108.4309	0.619	77	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ru<6>,1|C<4>}	H(CC[5]CC)	108.8377	0.905	3	108.4309	0.619	77	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Sm<8>,1|C<4>}	H(CC[5]CC)	108.3533	0.165	3	108.4309	0.619	77	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Zn<4>,1|C<4>}	H(CC[5]CC)	108.2007	0.517	6	108.4309	0.619	77	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Co<5>,1|C<4>}	H(CC[5]CC)	107.8445	0.105	2	108.3597	0.206	13	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Cu<4>,1|C<4>}	H(CC[5]CC)	108.4639	0.529	7	108.3597	0.206	13	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Ir<4>,1|C<4>}	H(CC[5]CC)	108.4080	0.000	1	108.3597	0.206	13	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Rh<4>,1|C<4>}	H(CC[5]CC)	108.2020	0.000	1	108.3597	0.206	13	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Zn<6>,1|C<4>}	H(CC[5]CC)	108.5650	0.242	2	108.3597	0.206	13	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Cr<5>,1|C<4>}	H(CC[5]CC)	107.7403	0.298	3	107.6623	4.896	6	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Cr<6>,1|C<4>}	H(CC[5]CC)	111.2810	0.000	1	107.6623	4.896	6	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Ni<5>,1|H<1>}	H(CC[5]CC)	104.3630	0.000	1	107.6623	4.896	6	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Sm<8>,1|C<4>}	H(CC[5]CC)	107.1090	0.000	1	107.6623	4.896	6	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCCH){1|Fe<6>,1|B<4>}	H(CC[5]CC)	108.2877	0.048	3	108.2877	0.002	3	108.3042	0.822	108	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCCH){1|C<4>,1|P<3>}	H(CC[5]CC)	107.9803	0.153	3	108.0206	0.026	5	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCCH){2|C<4>}	H(CC[5]CC)	108.0810	0.215	2	108.0206	0.026	5	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CCCH){1|Co<5>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]CC)	108.5130	0.000	1	108.5130	0.000	1	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Al)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Al)(C[5]C[5]H)(CCCH){1|Li<4>,1|C<4>}	H(CC[5]CC)	107.6620	0.711	3	107.6620	0.506	3	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	H(CC[5]CC)	107.4766	1.277	13	107.6191	1.412	16	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	H(CC[5]CC)	108.5940	0.000	1	107.6191	1.412	16	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH){2|C<4>}	H(CC[5]CC)	108.0575	0.046	2	107.6191	1.412	16	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	H(CC[5]CC)	108.1615	1.433	34	108.1156	1.774	40	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CC[5]CC)	107.9380	0.369	4	108.1156	1.774	40	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|Cr<5>,1|C<4>}	H(CC[5]CC)	107.6900	0.670	2	108.1156	1.774	40	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CCCH){2|C<4>}	H(CC[5]CC)	107.6190	0.359	7	107.6190	0.129	7	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CC[5]CC)	108.5310	0.212	2	108.5310	0.045	2	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CCCH){2|C<4>}	H(CC[5]CC)	108.4450	0.000	1	108.4450	0.000	1	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CCCH){1|Al<4>,1|C<4>}	H(CC[5]CC)	106.8247	1.354	3	106.8247	1.833	3	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CC[5]CC)	108.5825	0.015	2	108.5825	0.000	2	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CCCH){1|B<4>,1|H<1>}	H(CC[5]CC)	108.1957	0.502	68	108.1957	0.252	68	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	H(CC[5]CC)	107.0433	2.270	4	107.5143	2.961	7	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|B<4>,1|H<1>}	H(CC[5]CC)	108.1423	0.339	3	107.5143	2.961	7	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	H(CC[5]CC)	108.4407	1.431	12	108.4407	2.049	12	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CC[5]CC)	108.2363	0.258	3	108.2363	0.067	3	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CCCH){2|C<4>}	H(CC[5]CC)	108.4500	0.000	1	108.4500	0.000	1	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	H(CC[5]CC)	108.7003	0.620	3	108.7003	0.384	3	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	H(CC[5]CC)	108.2330	0.043	3	108.1792	0.013	4	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CC[5]CC)	108.0180	0.000	1	108.1792	0.013	4	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CCCH){1|C<4>}	H(CC[5]CC)	107.7615	0.338	8	107.7615	0.114	8	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	H(CC[5]CC)	108.1677	0.292	6	108.1609	0.076	16	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH){1|Zn<3>,1|C<4>}	H(CC[5]CC)	108.2040	0.191	4	108.1609	0.076	16	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH){1|Zn<4>,1|C<4>}	H(CC[5]CC)	108.1937	0.286	4	108.1609	0.076	16	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH){2|C<4>}	H(CC[5]CC)	107.9890	0.536	2	108.1609	0.076	16	108.0715	0.868	202	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CCCH)	H(CC[5]CC)	C(C[5]N[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CCCH){2|H<1>}	H(CC[5]CC)	106.3747	0.044	3	106.3747	0.002	3	107.4917	0.639	13	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)2(H)	C[5](N[5]C[5]Co)(N[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]N[5]2)(CH3)2(H)	C[5](N[5]C[5]Co)(N[5]C[5]H)(CCCH){1|H<1>,1|P<3>}	H(CC[5]CC)	107.1370	0.010	2	107.1370	0.000	2	107.4917	0.639	13	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)2(H)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]N[5]2)(CH3)2(H)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CCCH){1|C<4>,1|H<1>}	H(CC[5]CC)	107.7557	0.606	3	107.7557	0.367	3	107.4917	0.639	13	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)2(H)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]N[5]2)(CH3)2(H)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(CCCH){2|H<1>}	H(CC[5]CC)	107.8807	0.175	3	107.8807	0.031	3	107.4917	0.639	13	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)2(H)	C[5](N[5]C[5]H)2(CCCH)	H(CC[5]CC)	C(C[5]N[5]2)(CH3)2(H)	C[5](N[5]C[5]H)2(CCCH){2|C<3>}	H(CC[5]CC)	108.4820	0.000	1	108.5425	0.007	2	107.4917	0.639	13	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CH3)2(H)	C[5](N[5]C[5]H)2(CCCH)	H(CC[5]CC)	C(C[5]N[5]2)(CH3)2(H)	C[5](N[5]C[5]H)2(CCCH){2|H<1>}	H(CC[5]CC)	108.6030	0.000	1	108.5425	0.007	2	107.4917	0.639	13	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:O-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(CC[5]HH)(OMn3)(H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(CCHO)	H(CC[5]CO)	C(C[5]N[5]2)(CC[5]HH)(OMn3)(H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(CCHO){2|C<3>}	H(CC[5]CO)	108.8342	0.196	12	108.8342	0.039	12	108.8342	0.039	12	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:N-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(NAl2C)(CH3)(H)	C[5](N[5]C[5]Al)(N[5]C[5]C)(CCHN)	H(CC[5]CN)	C(C[5]N[5]2)(NAl2C)(CH3)(H)	C[5](N[5]C[5]Al)(N[5]C[5]C)(CCHN){2|H<1>}	H(CC[5]CN)	109.2710	0.000	1	109.2710	0.000	1	109.2710	0.000	1	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:P-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	C[5](C[5]C[5,6a]O)2(CCHP)	H(CC[5]CP)	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	C[5](C[5]C[5,6a]O)2(CCHP){2|C<3>}	H(CC[5]CP)	106.6805	0.036	2	106.6805	0.001	2	106.6805	0.001	2	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:S-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(SC[6a]OO)(CCHH)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHS)	H(CC[5]CS)	C(C[5]C[5]N[5])(SC[6a]OO)(CCHH)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHS){1|C<4>,3|H<1>}	H(CC[5]CS)	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	108.0574	0.957	372	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:4:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|C<4>,4|H<1>}	H(CC[5]CC)	107.6440	0.000	1	107.6440	0.000	1	108.0156	0.347	5	108.0156	0.347	5	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:4:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(CCCH){3|H<1>,4|C<4>}	H(CC[5]CC)	108.8770	0.000	1	108.8770	0.000	1	108.0156	0.347	5	108.0156	0.347	5	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:4:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[5]CC)	108.3620	0.000	1	107.8523	0.214	3	108.0156	0.347	5	108.0156	0.347	5	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:4:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|C<4>,4|H<1>}	H(CC[5]CC)	107.4590	0.000	1	107.8523	0.214	3	108.0156	0.347	5	108.0156	0.347	5	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	3:4:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|H<1>,4|C<4>}	H(CC[5]CC)	107.7360	0.000	1	107.8523	0.214	3	108.0156	0.347	5	108.0156	0.347	5	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5]CC)	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6,6]C[5])(CH3)2(H)	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6,6]C[5])(CH3)2(H)	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(CC[5]CC)	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]CC)	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHH)(CH3)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CCHH)(CH3)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>,3|C<4>}	H(CC[5]CC)	106.0250	0.000	1	106.0250	0.000	1	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CCHO)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CCHO)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|O<1>,2|H<1>}	H(CC[5]CC)	107.3270	0.168	2	107.3270	0.028	2	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>}	H(CC[5]CC)	107.3070	0.000	1	107.0715	0.111	2	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>}	H(CC[5]CC)	106.8360	0.000	1	107.0715	0.111	2	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH){2|C<4>,2|O<2>}	H(CC[5]CC)	106.9830	0.000	1	106.9830	0.000	1	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	H(CC[5]CC)	107.8070	0.000	1	107.8070	0.000	1	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>}	H(CC[5]CC)	107.7777	0.151	3	107.7777	0.023	3	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CC)	107.6140	0.702	3	107.6140	0.493	3	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]CC)	108.1690	0.000	1	107.8983	0.058	3	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){2|C<4>,2|H<1>}	H(CC[5]CC)	107.7630	0.079	2	107.8983	0.058	3	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCCH){2|C<4>,2|O<2>}	H(CC[5]CC)	108.5240	0.000	1	108.5240	0.000	1	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){1|O<1>,2|C<4>}	H(CC[5]CC)	106.2820	0.000	1	106.2820	0.000	1	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CC)	108.4480	0.000	1	107.9170	0.411	3	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){2|C<4>,2|H<1>}	H(CC[5]CC)	107.6515	0.631	2	107.9170	0.411	3	107.5257	0.443	21	107.5508	0.418	24	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	3:6:1:1:	3:3:4:	4:	C[5]-3:P-6:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]N[5]2)(PF5)(H)2	C[5](N[5]C[5]C)2(CHHP)	H(CC[5]HP)	C(C[5]N[5]2)(PF5)(H)2	C[5](N[5]C[5]C)2(CHHP){2|H<1>}	H(CC[5]HP)	108.0295	0.013	2	108.0295	0.000	2	108.0295	0.000	2	108.0295	0.000	2	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	2:2:4:	4:	N[6]-4:C[5]-3:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[6]C[6]2H)(C[5]N[5]2)(H)2	C[5](N[5]N[5])2(CN[6]HH)	H(CC[5]N[6]H)	C(N[6]C[6]2H)(C[5]N[5]2)(H)2	C[5](N[5]N[5])2(CN[6]HH)	H(CC[5]N[6]H)	110.7005	0.771	2	110.7005	0.595	2	110.7005	0.595	2	110.7005	0.595	2	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:2:4:	4:	C[6]-4:C[5]-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[5]N[5]O[5])(H)2	C[5](N[5]C[5]Re)(O[5]C[5])(CC[6]HH)	H(CC[5]C[6]H)	C(C[6]C[6]N[6]H)(C[5]N[5]O[5])(H)2	C[5](N[5]C[5]Re)(O[5]C[5])(CC[6]HH){4|H<1>}	H(CC[5]C[6]H)	108.2032	0.168	4	108.2032	0.028	4	108.2032	0.028	4	108.2032	0.028	4	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	B[5]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(B[5]C[5,6a]2Br)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(CB[5]HH)	H(CB[5]C[5]H)	C(B[5]C[5,6a]2Br)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(CB[5]HH){2|H<1>,4|C<3>}	H(CB[5]C[5]H)	106.8655	0.029	2	106.8655	0.001	2	106.8655	0.001	2	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	C-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(CC[6a]2C[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5]Li)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(CC[6a]2C[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5]Li)(N[5]C[5]C)(CCHH){2|H<1>}	H(CC[5]CH)	108.5645	0.015	2	108.5645	0.000	2	108.5645	0.000	2	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH){1|H<1>,6|C<3>}	H(CC[5]2H)	108.8180	0.004	2	108.8180	0.000	2	108.8180	0.000	2	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH){4|H<1>}	H(CC[5]2H)	108.2430	0.031	2	108.2430	0.001	2	108.7568	0.207	6	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH){1|O<1>}	H(CC[5]2H)	109.2590	0.013	2	109.2590	0.000	2	108.7568	0.207	6	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH){1|C<4>,4|C<3>}	H(CC[5]2H)	108.7685	0.043	2	108.7685	0.002	2	108.7568	0.207	6	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]2Ru)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]2Ru)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(CC[5]HH){2|H<1>,4|C<3>}	H(CC[5]2H)	108.6085	0.019	2	108.6423	0.002	4	108.4844	0.055	7	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]2Ru)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]2Ru)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(CC[5]HH){4|C<3>,4|H<1>}	H(CC[5]2H)	108.6760	0.028	2	108.6423	0.002	4	108.4844	0.055	7	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(CC[5]HH){2|C<4>}	H(CC[5]2H)	108.2740	0.212	3	108.2740	0.045	3	108.4844	0.055	7	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6]HH)	H(CC[5]C[6]H)	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6]HH){2|H<1>}	H(CC[5]C[6]H)	108.8782	0.161	4	108.8782	0.026	4	108.8782	0.026	4	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	N-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(NC[6a]CoH)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(NC[6a]CoH)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	110.0600	0.000	1	110.0600	0.000	1	110.3252	0.160	8	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	N-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(NC[6a]MnC)(C[5]N[5]2)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(NC[6a]MnC)(C[5]N[5]2)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CHHN){2|H<1>}	H(CC[5]HN)	109.7805	0.019	2	109.7805	0.000	2	110.3252	0.160	8	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	N-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(NC[6a]MnH)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(CHHN)	H(CC[5]HN)	C(NC[6a]MnH)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(CHHN){2|C<3>}	H(CC[5]HN)	110.5962	0.150	5	110.5962	0.023	5	110.3252	0.160	8	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]2Fe)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CN[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5]2Fe)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	H(CC[5]N[5]H)	110.1395	0.101	6	110.1395	0.010	6	109.5848	0.567	13	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]2H)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CN[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5]2H)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CN[5]HH){2|C<3>}	H(CC[5]N[5]H)	108.6767	0.719	4	108.6767	0.517	4	109.5848	0.567	13	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]2Mn)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CN[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5]2Mn)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	H(CC[5]N[5]H)	109.7515	0.008	2	109.7515	0.000	2	109.5848	0.567	13	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]2Zn)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CN[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5]2Zn)(C[5]N[5]2)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	H(CC[5]N[5]H)	109.5550	0.000	1	109.5550	0.000	1	109.5848	0.567	13	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	P-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(PC[6a]2Ir)(C[5]N[5]2)(H)2	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CHHP)	H(CC[5]HP)	C(PC[6a]2Ir)(C[5]N[5]2)(H)2	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CHHP){2|H<1>}	H(CC[5]HP)	110.4820	0.007	2	110.4820	0.000	2	110.3077	0.048	4	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:3:4:	4:	P-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(PC[6a]2Mo)(C[5]N[5]2)(H)2	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CHHP)	H(CC[5]HP)	C(PC[6a]2Mo)(C[5]N[5]2)(H)2	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CHHP){2|H<1>}	H(CC[5]HP)	110.1335	0.155	2	110.1335	0.024	2	110.3077	0.048	4	109.2578	0.925	48	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]2H)	108.1885	0.006	2	108.1885	0.000	2	108.1885	0.000	2	108.1885	0.000	2	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	4:2:4:	4:	C[6]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	C[5](C[5]C[5]HH)(N[5]O[5])(CC[6]HH)	H(CC[5]C[6]H)	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	C[5](C[5]C[5]HH)(N[5]O[5])(CC[6]HH){1|C<3>,1|H<1>}	H(CC[5]C[6]H)	107.8090	0.014	2	107.8090	0.000	2	107.8090	0.000	2	107.8090	0.000	2	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	4:3:4:	4:	C-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(CC[3x5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(CC[3x5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]C)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.5040	0.000	1	108.5040	0.000	1	108.8097	0.070	3	108.5257	0.704	12	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	4:3:4:	4:	C-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(CC[6,6]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)	H(CC[5]CH)	C(CC[6,6]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH){1|O<1>,2|H<1>}	H(CC[5]CH)	108.9625	0.019	2	108.9625	0.000	2	108.8097	0.070	3	108.5257	0.704	12	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]2H)	108.4525	0.011	2	108.4525	0.000	2	108.4310	0.911	9	108.5257	0.704	12	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH){2|C<3>,2|H<1>}	H(CC[5]2H)	108.6015	2.642	2	108.6015	6.983	2	108.4310	0.911	9	108.5257	0.704	12	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	H(CC[5]2H)	108.4515	0.260	2	108.4515	0.067	2	108.4310	0.911	9	108.5257	0.704	12	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH){1|C<4>,3|H<1>}	H(CC[5]2H)	108.5660	0.000	1	108.5660	0.000	1	108.4310	0.911	9	108.5257	0.704	12	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	H(CC[5]2H)	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(CC[5]2H)	108.1510	0.017	2	108.1510	0.000	2	108.4310	0.911	9	108.5257	0.704	12	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:1:1:	4:4:3:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:C[5]-3:	C-4:	C(C[3,5]C[3,5]2O[3])(C[5]C[5]2)(H)2	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C)	H(CC[3,5]C[5]H)	C(C[3,5]C[3,5]2O[3])(C[5]C[5]2)(H)2	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C){1|O<1>}	H(CC[3,5]C[5]H)	108.0945	0.067	2	108.0945	0.005	2	108.0945	0.005	2	108.0945	0.005	2	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO){4|H<1>}	H(CC[5]2O)	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:2:1:	4:3:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO){1|O<1>}	H(CC[5]2O)	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:3:1:	3:2:4:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)	H(CC[5]2C)	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH){1|O<1>,2|C<4>}	H(CC[5]2C)	105.4270	0.000	1	105.4270	0.000	1	105.4270	0.000	1	105.4270	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH)	H(CC[5]2C)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH){2|H<1>}	H(CC[5]2C)	106.8690	0.000	1	106.8690	0.000	1	106.8690	0.000	1	106.8690	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H)	H(CC[6a]C[5]2)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	H(CC[6a]C[5]2)	106.4310	0.921	2	106.4310	0.848	2	106.4657	0.427	3	106.4657	0.427	3	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	H(CC[6a]C[5]2)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<3>,1|O<1>}	H(CC[6a]C[5]2)	106.5350	0.000	1	106.5350	0.000	1	106.4657	0.427	3	106.4657	0.427	3	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH)	H(CC[5]2C)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[5]2C)	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[5]CH)	H(CC[5]2C)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[5]CH){2|H<1>}	H(CC[5]2C)	107.5654	0.483	5	107.5654	0.234	5	107.5654	0.234	5	108.0962	0.878	8	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:4:1:	3:3:4:	4:	P-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5,6a]O)2(CCHP)	H(CC[5]CP)	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5,6a]O)2(CCHP){2|C<3>}	H(CC[5]CP)	108.5825	0.706	2	108.5825	0.499	2	108.5825	0.499	2	108.0962	0.878	8	109.4505	0.746	28724	109.4512	0.747	29165
490	818	951	0:SP3_SP-NON_SP2	C	C[5]	H	4:3:4:1:	3:3:4:	4:	P-4:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(PC[6a]2Mo)(C[5]N[5]2)(CCHH)(H)	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CCHP)	H(CC[5]CP)	C(PC[6a]2Mo)(C[5]N[5]2)(CCHH)(H)	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CCHP){2|H<1>}	H(CC[5]CP)	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	108.0962	0.878	8	109.4505	0.746	28724	109.4512	0.747	29165